4-hex-4-enyl-1-methylcyclohexene

C13H22 — CID 173420371

IUPAC4-hex-4-enyl-1-methylcyclohexene
SMILESCC=CCCCC1CC=C(C)CC1
InChIInChI=1S/C13H22/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h3-4,8,13H,5-7,9-11H2,1-2H3
InChIKeyBAKBOLMKCGVMKH-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.48
Rot. Bonds4

About 4-hex-4-enyl-1-methylcyclohexene

4-hex-4-enyl-1-methylcyclohexene (PubChem CID 173420371) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 4-hex-4-enyl-1-methylcyclohexene.

Molecular Properties

Compound Name4-hex-4-enyl-1-methylcyclohexene
PubChem CID173420371
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name4-hex-4-enyl-1-methylcyclohexene
SMILESCC=CCCCC1CC=C(C)CC1
InChIInChI=1S/C13H22/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h3-4,8,13H,5-7,9-11H2,1-2H3
InChIKeyBAKBOLMKCGVMKH-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.48
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-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene
CID 23031272
1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene
CID 166931892
(4-methylcyclohex-3-en-1-yl)methanol
CID 564672
1-methyl-4-propylcyclohexene
CID 102055246
butane;but-2-ene;bis(1,4-dimethylcyclohexene);ethane;hexane;(E)-hex-2-ene;methanol;methylboronic acid
CID 159821324
2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane
CID 54334191
4-[3-(methoxymethyl)heptyl]-1-methylcyclohexene
CID 174197232
1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene
CID 126566440
1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane
CID 67806063
[(E)-non-7-enyl]cyclohexane
CID 142802500
1-(4-butylcyclohexen-1-yl)-4-[4-[2,3-difluoro-4-[(E)-pent-3-enyl]phenyl]phenyl]-2,3-difluorobenzene
CID 67732093
1-butyl-2,3-difluoro-4-(4-pent-3-enylcyclohexen-1-yl)benzene
CID 76631767

Frequently Asked Questions

What is the IUPAC name of 4-hex-4-enyl-1-methylcyclohexene?
The IUPAC name of 4-hex-4-enyl-1-methylcyclohexene (CID 173420371) is 4-hex-4-enyl-1-methylcyclohexene.
What is the SMILES notation for 4-hex-4-enyl-1-methylcyclohexene?
The canonical SMILES for 4-hex-4-enyl-1-methylcyclohexene is CC=CCCCC1CC=C(C)CC1.
What is the InChIKey of 4-hex-4-enyl-1-methylcyclohexene?
The InChIKey is BAKBOLMKCGVMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h3-4,8,13H,5-7,9-11H2,1-2H3.
What are the key properties of 4-hex-4-enyl-1-methylcyclohexene?
4-hex-4-enyl-1-methylcyclohexene has a molecular weight of 178.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-4-enyl-1-methylcyclohexene is sourced from PubChem (CID 173420371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).