Molecular Identity
1-Methyl-4-Prop-1-En-2-Ylcyclohexene
1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID: 22311
Limonene is a monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. It has a role as a human metabolite. It is a cycloalkene and a p-menthadiene.
2D Structure
Properties
C10H16
Molecular Formula
136.23
Molecular Weight
g/mol
136.1252
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
0
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
0
H-Bond Acceptors
163
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CCC(CC1)C(=C)CIsomeric SMILES
SMILES: CC1=CCC(CC1)C(=C)CSynonyms(20)
1-methyl-4-prop-1-en-2-ylcyclohexeneRefChem:1055817LIMONENEDipentene138-86-3CineneCajeputeneDL-LimoneneKautschinDipentenEulimenNesolLimonenp-Mentha-1,8-diene1,8-p-Menthadiene
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1-Methyl-4-Prop-1-En-2-Ylcyclohexene
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