1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane

C18H36 — CID 163369818

IUPAC1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane
SMILESCC(C)(C)CC1CCCCC1C(C)(C)C(C)(C)C
InChIInChI=1S/C18H36/c1-16(2,3)13-14-11-9-10-12-15(14)18(7,8)17(4,5)6/h14-15H,9-13H2,1-8H3
InChIKeyKCTIMNRJXMQCGZ-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.30
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane

1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane (PubChem CID 163369818) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane
PubChem CID163369818
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane
SMILESCC(C)(C)CC1CCCCC1C(C)(C)C(C)(C)C
InChIInChI=1S/C18H36/c1-16(2,3)13-14-11-9-10-12-15(14)18(7,8)17(4,5)6/h14-15H,9-13H2,1-8H3
InChIKeyKCTIMNRJXMQCGZ-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane (CID 163369818) is 1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane is CC(C)(C)CC1CCCCC1C(C)(C)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane?
The InChIKey is KCTIMNRJXMQCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-16(2,3)13-14-11-9-10-12-15(14)18(7,8)17(4,5)6/h14-15H,9-13H2,1-8H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane?
1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane has a molecular weight of 252.49 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)cyclohexane is sourced from PubChem (CID 163369818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).