1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane

C17H32 — CID 163268488

IUPAC1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(CCC(C)C(C)C)C(C)C1
InChIInChI=1S/C17H32/c1-12(2)14(5)7-8-16-9-10-17(13(3)4)11-15(16)6/h12,14-17H,3,7-11H2,1-2,4-6H3
InChIKeyWSSQWZAHCGFJNM-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.69
Rot. Bonds5

About 1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane

1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane (PubChem CID 163268488) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane
PubChem CID163268488
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(CCC(C)C(C)C)C(C)C1
InChIInChI=1S/C17H32/c1-12(2)14(5)7-8-16-9-10-17(13(3)4)11-15(16)6/h12,14-17H,3,7-11H2,1-2,4-6H3
InChIKeyWSSQWZAHCGFJNM-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.69
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-methyl-2-(3,4,5-trimethylhexyl)cyclobutane
CID 123422470
[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol
CID 130848342
1-ethyl-4-prop-1-en-2-yl-2-propylcyclohexane
CID 166161434
4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
CID 143714576
1-(3,4-dimethylpentyl)-2-ethylcyclopropane
CID 123908789
[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
CID 102064475
(5R)-1-(3,4-dimethylpentyl)-3,5-dimethylcyclohexane
CID 144902537
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
ethene;1-methyl-2-(3-methylpentyl)cyclopropane
CID 143221228
4-(2-methylcyclohexyl)butan-2-ol
CID 131147117
cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane
CID 13138751
1,4-dimethyl-2-(2-methylprop-2-enyl)cyclopentane
CID 123213374

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane (CID 163268488) is 1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane is C=C(C)C1CCC(CCC(C)C(C)C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane?
The InChIKey is WSSQWZAHCGFJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-12(2)14(5)7-8-16-9-10-17(13(3)4)11-15(16)6/h12,14-17H,3,7-11H2,1-2,4-6H3.
What are the key properties of 1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane?
1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane has a molecular weight of 236.44 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpentyl)-2-methyl-4-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 163268488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).