1-[(Z)-hex-1-enyl]-1-methylcyclopentane

C12H22 — CID 58896041

IUPAC1-[(Z)-hex-1-enyl]-1-methylcyclopentane
SMILESCCCC/C=C\C1(C)CCCC1
InChIInChI=1S/C12H22/c1-3-4-5-6-9-12(2)10-7-8-11-12/h6,9H,3-5,7-8,10-11H2,1-2H3/b9-6-
InChIKeyOOPZPUNMRJKFNK-TWGQIWQCSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds4

About 1-[(Z)-hex-1-enyl]-1-methylcyclopentane

1-[(Z)-hex-1-enyl]-1-methylcyclopentane (PubChem CID 58896041) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-[(Z)-hex-1-enyl]-1-methylcyclopentane.

Molecular Properties

Compound Name1-[(Z)-hex-1-enyl]-1-methylcyclopentane
PubChem CID58896041
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-[(Z)-hex-1-enyl]-1-methylcyclopentane
SMILESCCCC/C=C\C1(C)CCCC1
InChIInChI=1S/C12H22/c1-3-4-5-6-9-12(2)10-7-8-11-12/h6,9H,3-5,7-8,10-11H2,1-2H3/b9-6-
InChIKeyOOPZPUNMRJKFNK-TWGQIWQCSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-dodec-1-enyl]cyclohexan-1-ol
CID 14571858
2-[1-[(E)-hex-1-enyl]cyclopropyl]-2-methyl-1,3-dioxolane
CID 22042413
dec-5-ene;trihydrobromide
CID 175802238
(E)-hept-2-en-1-amine
CID 10779517
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
pentadeca-4,10-diene
CID 54306056
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
1-methyl-N-pentylcyclopentan-1-amine
CID 61365384
(5E,9E)-nonacosa-5,9-diene
CID 56936191
heptadeca-5,9-diene
CID 123203573
(E)-1-bromohex-1-ene
CID 5362769

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-1-enyl]-1-methylcyclopentane?
The IUPAC name of 1-[(Z)-hex-1-enyl]-1-methylcyclopentane (CID 58896041) is 1-[(Z)-hex-1-enyl]-1-methylcyclopentane.
What is the SMILES notation for 1-[(Z)-hex-1-enyl]-1-methylcyclopentane?
The canonical SMILES for 1-[(Z)-hex-1-enyl]-1-methylcyclopentane is CCCC/C=C\C1(C)CCCC1.
What is the InChIKey of 1-[(Z)-hex-1-enyl]-1-methylcyclopentane?
The InChIKey is OOPZPUNMRJKFNK-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H22/c1-3-4-5-6-9-12(2)10-7-8-11-12/h6,9H,3-5,7-8,10-11H2,1-2H3/b9-6-.
What are the key properties of 1-[(Z)-hex-1-enyl]-1-methylcyclopentane?
1-[(Z)-hex-1-enyl]-1-methylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-1-enyl]-1-methylcyclopentane is sourced from PubChem (CID 58896041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).