4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene

C17H30 — CID 143303546

IUPAC4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene
SMILESCC1CC=C(C(C)(C)C2CCC(C)CC2)CC1
InChIInChI=1S/C17H30/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16/h9,13-14,16H,5-8,10-12H2,1-4H3
InChIKeySGDGDEUXNLCXGX-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.59
Rot. Bonds2

About 4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene

4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene (PubChem CID 143303546) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene.

Molecular Properties

Compound Name4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene
PubChem CID143303546
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene
SMILESCC1CC=C(C(C)(C)C2CCC(C)CC2)CC1
InChIInChI=1S/C17H30/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16/h9,13-14,16H,5-8,10-12H2,1-4H3
InChIKeySGDGDEUXNLCXGX-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.59
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-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylcyclohexane;1-tert-butyl-4-methylcyclohexene;(4R)-1-tert-butyl-4-methylcyclohexene;(4S)-1-tert-butyl-4-methylcyclohexene;1,4-dimethylcyclohexane;propane
CID 167689429
5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene
CID 163761280
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
1,4-dimethyl(113C)cyclohexene
CID 11018826
1-tert-butyl-4-methylcyclohexane;ethane;methane
CID 143180692
1-fluoro-4-methylcyclohexene
CID 23443585
1-tert-butyl-4-methylcyclopentene
CID 13234608
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
CID 142414461
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 160612898
1-amino-2-(4-methylcyclohexyl)propan-2-ol
CID 66039594

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene?
The IUPAC name of 4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene (CID 143303546) is 4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene.
What is the SMILES notation for 4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene?
The canonical SMILES for 4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene is CC1CC=C(C(C)(C)C2CCC(C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene?
The InChIKey is SGDGDEUXNLCXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16/h9,13-14,16H,5-8,10-12H2,1-4H3.
What are the key properties of 4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene?
4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene has a molecular weight of 234.43 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene is sourced from PubChem (CID 143303546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).