1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane

C18H32 — CID 123703907

IUPAC1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane
SMILESC=C(CC(C)C1CCCCC1)C1CCCCC1C
InChIInChI=1S/C18H32/c1-14-9-7-8-12-18(14)16(3)13-15(2)17-10-5-4-6-11-17/h14-15,17-18H,3-13H2,1-2H3
InChIKeyCUSZTXZLDBHOHB-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.98
Rot. Bonds4

About 1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane

1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane (PubChem CID 123703907) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane.

Molecular Properties

Compound Name1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane
PubChem CID123703907
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane
SMILESC=C(CC(C)C1CCCCC1)C1CCCCC1C
InChIInChI=1S/C18H32/c1-14-9-7-8-12-18(14)16(3)13-15(2)17-10-5-4-6-11-17/h14-15,17-18H,3-13H2,1-2H3
InChIKeyCUSZTXZLDBHOHB-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.98
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

3-[(1R,2R)-2-methylcyclopentyl]but-3-en-1-ol
CID 15475081
5-cyclohexylhex-1-en-2-ylcyclohexane
CID 57058746
3-cyclohexylbutanoate
CID 3992120
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane
CID 163550244
4-methylpent-4-en-2-ylcyclopropane
CID 123136187
6-cyclohexyl-2-methylheptane-3,4-dione
CID 158402815
butan-2-ylcyclohexadecane
CID 123713671
2-cyclododecylpropan-1-ol;ethanol
CID 69400645
N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine
CID 104929557
N-(1-cyclohexylethyl)-3-methylbut-3-en-1-amine
CID 114449114
cyclohexyl 3-cyclohexylbutanoate
CID 129263985

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane?
The IUPAC name of 1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane (CID 123703907) is 1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane.
What is the SMILES notation for 1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane?
The canonical SMILES for 1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane is C=C(CC(C)C1CCCCC1)C1CCCCC1C.
What is the InChIKey of 1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane?
The InChIKey is CUSZTXZLDBHOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-14-9-7-8-12-18(14)16(3)13-15(2)17-10-5-4-6-11-17/h14-15,17-18H,3-13H2,1-2H3.
What are the key properties of 1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane?
1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane has a molecular weight of 248.45 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane is sourced from PubChem (CID 123703907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).