4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane

C14H28 — CID 142139515

IUPAC4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane
SMILESCC(C)C(C)(C)C1CCC(C)(C)CC1
InChIInChI=1S/C14H28/c1-11(2)14(5,6)12-7-9-13(3,4)10-8-12/h11-12H,7-10H2,1-6H3
InChIKeyIGMHXQYEUBVWJG-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds2

About 4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane

4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane (PubChem CID 142139515) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane
PubChem CID142139515
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane
SMILESCC(C)C(C)(C)C1CCC(C)(C)CC1
InChIInChI=1S/C14H28/c1-11(2)14(5,6)12-7-9-13(3,4)10-8-12/h11-12H,7-10H2,1-6H3
InChIKeyIGMHXQYEUBVWJG-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Methyl-4-isopropylcyclohexane
CID 7459
Isopropylcyclohexane
CID 12763
Pentylcyclohexane
CID 20284
1,2,4-Trimethylcyclohexane
CID 91517
sec-Butylcyclohexane
CID 23468
1,1-Dimethylcyclohexane
CID 11549
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938
1,1,2-Trimethylcyclohexane
CID 35363
Hexylcyclohexane
CID 20283
Octylcyclohexane
CID 15712
Heptylcyclohexane
CID 21832
Diethylcyclohexane
CID 14910

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane?
The IUPAC name of 4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane (CID 142139515) is 4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane.
What is the SMILES notation for 4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane?
The canonical SMILES for 4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane is CC(C)C(C)(C)C1CCC(C)(C)CC1.
What is the InChIKey of 4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane?
The InChIKey is IGMHXQYEUBVWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-11(2)14(5,6)12-7-9-13(3,4)10-8-12/h11-12H,7-10H2,1-6H3.
What are the key properties of 4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane?
4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane is sourced from PubChem (CID 142139515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).