1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane

C23H46 — CID 172765062

IUPAC1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane
SMILESCCC(C(C)(C)C)C1(C(CC)C(C)(C)C)CC(C)CC(C)(C)C1
InChIInChI=1S/C23H46/c1-12-18(20(4,5)6)23(19(13-2)21(7,8)9)15-17(3)14-22(10,11)16-23/h17-19H,12-16H2,1-11H3
InChIKeyMEVYNOLDQPVSFN-UHFFFAOYSA-N
MW322.62 g/mol
LogP7.96
Rot. Bonds4

About 1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane

1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane (PubChem CID 172765062) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane.

Molecular Properties

Compound Name1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane
PubChem CID172765062
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane
SMILESCCC(C(C)(C)C)C1(C(CC)C(C)(C)C)CC(C)CC(C)(C)C1
InChIInChI=1S/C23H46/c1-12-18(20(4,5)6)23(19(13-2)21(7,8)9)15-17(3)14-22(10,11)16-23/h17-19H,12-16H2,1-11H3
InChIKeyMEVYNOLDQPVSFN-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
1,1,3-trimethylcyclobutane
CID 12656861
1,1-bis(2,2-dimethylhexan-3-ylperoxy)-3,3,5-trimethylcyclohexane
CID 160789281
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
(1R)-1-ethyl-3,3,5-trimethylcyclohexan-1-ol
CID 134996054
trans-(3R,5S)-1,1,3,5-tetramethyl-3-propan-2-ylcyclohexane
CID 59970292
benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
CID 158757450
1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane
CID 123928850
1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane
CID 165174323
2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane
CID 59482332
(5R)-1,1-difluoro-3,3,5-trimethylcyclohexane
CID 124582887
1-bromo-3,3,5-trimethyl-1-(2-methylpropyl)cyclohexane
CID 143368968

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane?
The IUPAC name of 1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane (CID 172765062) is 1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane.
What is the SMILES notation for 1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane?
The canonical SMILES for 1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane is CCC(C(C)(C)C)C1(C(CC)C(C)(C)C)CC(C)CC(C)(C)C1.
What is the InChIKey of 1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane?
The InChIKey is MEVYNOLDQPVSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-12-18(20(4,5)6)23(19(13-2)21(7,8)9)15-17(3)14-22(10,11)16-23/h17-19H,12-16H2,1-11H3.
What are the key properties of 1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane?
1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane has a molecular weight of 322.62 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane is sourced from PubChem (CID 172765062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).