[(E,3S)-3-methylhept-1-enyl]cyclohexane

C14H26 — CID 11030691

IUPAC[(E,3S)-3-methylhept-1-enyl]cyclohexane
SMILESCCCC[C@H](C)/C=C/C1CCCCC1
InChIInChI=1S/C14H26/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h11-14H,3-10H2,1-2H3/b12-11+/t13-/m0/s1
InChIKeyHBEPRRYOAKAZLN-YLSINNKHSA-N
MW194.36 g/mol
LogP4.95
Rot. Bonds5

About [(E,3S)-3-methylhept-1-enyl]cyclohexane

[(E,3S)-3-methylhept-1-enyl]cyclohexane (PubChem CID 11030691) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is [(E,3S)-3-methylhept-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E,3S)-3-methylhept-1-enyl]cyclohexane
PubChem CID11030691
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name[(E,3S)-3-methylhept-1-enyl]cyclohexane
SMILESCCCC[C@H](C)/C=C/C1CCCCC1
InChIInChI=1S/C14H26/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h11-14H,3-10H2,1-2H3/b12-11+/t13-/m0/s1
InChIKeyHBEPRRYOAKAZLN-YLSINNKHSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Beta-Bisabolene
CID 10104370
4-Vinyl-1-cyclohexene
CID 7499
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597
p-Menth-1-ene
CID 21671
(+)-germacrene A
CID 9548705
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
2,6-Dimethyl-2-octene
CID 19974
(-)-Zingiberene
CID 92776

Frequently Asked Questions

What is the IUPAC name of [(E,3S)-3-methylhept-1-enyl]cyclohexane?
The IUPAC name of [(E,3S)-3-methylhept-1-enyl]cyclohexane (CID 11030691) is [(E,3S)-3-methylhept-1-enyl]cyclohexane.
What is the SMILES notation for [(E,3S)-3-methylhept-1-enyl]cyclohexane?
The canonical SMILES for [(E,3S)-3-methylhept-1-enyl]cyclohexane is CCCC[C@H](C)/C=C/C1CCCCC1.
What is the InChIKey of [(E,3S)-3-methylhept-1-enyl]cyclohexane?
The InChIKey is HBEPRRYOAKAZLN-YLSINNKHSA-N. The full InChI is InChI=1S/C14H26/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h11-14H,3-10H2,1-2H3/b12-11+/t13-/m0/s1.
What are the key properties of [(E,3S)-3-methylhept-1-enyl]cyclohexane?
[(E,3S)-3-methylhept-1-enyl]cyclohexane has a molecular weight of 194.36 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-3-methylhept-1-enyl]cyclohexane is sourced from PubChem (CID 11030691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).