1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane

C16H32 — CID 142085389

IUPAC1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane
SMILESC.C=C(C)C1CCCC(C(C)(C)C(C)C)C1
InChIInChI=1S/C15H28.CH4/c1-11(2)13-8-7-9-14(10-13)15(5,6)12(3)4;/h12-14H,1,7-10H2,2-6H3;1H4
InChIKeyCVYCFYLHDXSREA-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.69
Rot. Bonds3

About 1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane

1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane (PubChem CID 142085389) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane
PubChem CID142085389
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane
SMILESC.C=C(C)C1CCCC(C(C)(C)C(C)C)C1
InChIInChI=1S/C15H28.CH4/c1-11(2)13-8-7-9-14(10-13)15(5,6)12(3)4;/h12-14H,1,7-10H2,2-6H3;1H4
InChIKeyCVYCFYLHDXSREA-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
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

N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine
CID 155630510
cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane
CID 13138751
3-prop-1-en-2-ylcyclododecan-1-ol
CID 24977822
N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine
CID 166896412
trans-(1S,3S)-1-prop-1-en-2-yl-3-propylcyclohexane
CID 155697508
2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90735344
2-cyclobutyl-2,3-dimethylbut-3-en-1-ol
CID 57304061
4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane
CID 142139515
(1R,2R,4S)-1-methyl-2-(propan-2-ylamino)-4-prop-1-en-2-ylcyclohexan-1-ol
CID 59881047
1-(2,2-dimethylpropyl)-3-prop-1-en-2-ylcyclobutane
CID 162407946
2,3,4-trimethylpentan-3-ylcyclohexane
CID 140706198
3-cyclopentyl-2,4-dimethylpentan-3-ol
CID 130529014

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane (CID 142085389) is 1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane is C.C=C(C)C1CCCC(C(C)(C)C(C)C)C1.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane?
The InChIKey is CVYCFYLHDXSREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28.CH4/c1-11(2)13-8-7-9-14(10-13)15(5,6)12(3)4;/h12-14H,1,7-10H2,2-6H3;1H4.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane?
1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane has a molecular weight of 224.43 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane is sourced from PubChem (CID 142085389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).