4-methylhex-4-en-3-ylcyclopentane

C12H22 — CID 123804742

IUPAC4-methylhex-4-en-3-ylcyclopentane
SMILESCC=C(C)C(CC)C1CCCC1
InChIInChI=1S/C12H22/c1-4-10(3)12(5-2)11-8-6-7-9-11/h4,11-12H,5-9H2,1-3H3
InChIKeyFRXDNDRXIDUMKZ-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds3

About 4-methylhex-4-en-3-ylcyclopentane

4-methylhex-4-en-3-ylcyclopentane (PubChem CID 123804742) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-methylhex-4-en-3-ylcyclopentane.

Molecular Properties

Compound Name4-methylhex-4-en-3-ylcyclopentane
PubChem CID123804742
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-methylhex-4-en-3-ylcyclopentane
SMILESCC=C(C)C(CC)C1CCCC1
InChIInChI=1S/C12H22/c1-4-10(3)12(5-2)11-8-6-7-9-11/h4,11-12H,5-9H2,1-3H3
InChIKeyFRXDNDRXIDUMKZ-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
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

2-cycloheptylbutanoic acid
CID 79007061
CID 173256646
CID 173256646
4-cyclohexylhexan-3-one
CID 121006778
2-cyclohexyl-N-methylbutanamide;hydrochloride
CID 174608918
methyl 3-cyclohexyl-2-oxopentanoate
CID 174214422
[(E)-3-ethylpent-3-en-2-yl]cyclopentane
CID 163565221
(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
1-cyclopropylbutan-2-ylcyclopentane
CID 142060963
(2S)-2-cyclooctylbutan-1-ol
CID 122210665
2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one
CID 13175265
[(E)-4-cyclohexylhex-2-en-2-yl]oxy-trimethylsilane
CID 24755885
propane;propan-2-ylcyclopentane
CID 91615250

Frequently Asked Questions

What is the IUPAC name of 4-methylhex-4-en-3-ylcyclopentane?
The IUPAC name of 4-methylhex-4-en-3-ylcyclopentane (CID 123804742) is 4-methylhex-4-en-3-ylcyclopentane.
What is the SMILES notation for 4-methylhex-4-en-3-ylcyclopentane?
The canonical SMILES for 4-methylhex-4-en-3-ylcyclopentane is CC=C(C)C(CC)C1CCCC1.
What is the InChIKey of 4-methylhex-4-en-3-ylcyclopentane?
The InChIKey is FRXDNDRXIDUMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-10(3)12(5-2)11-8-6-7-9-11/h4,11-12H,5-9H2,1-3H3.
What are the key properties of 4-methylhex-4-en-3-ylcyclopentane?
4-methylhex-4-en-3-ylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhex-4-en-3-ylcyclopentane is sourced from PubChem (CID 123804742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).