2-butan-2-yl-1,3-dimethylcyclohexane

C12H24 — CID 123219049

IUPAC2-butan-2-yl-1,3-dimethylcyclohexane
SMILESCCC(C)C1C(C)CCCC1C
InChIInChI=1S/C12H24/c1-5-9(2)12-10(3)7-6-8-11(12)4/h9-12H,5-8H2,1-4H3
InChIKeyCKKDJLRXKXHENX-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds2

About 2-butan-2-yl-1,3-dimethylcyclohexane

2-butan-2-yl-1,3-dimethylcyclohexane (PubChem CID 123219049) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2-butan-2-yl-1,3-dimethylcyclohexane.

Molecular Properties

Compound Name2-butan-2-yl-1,3-dimethylcyclohexane
PubChem CID123219049
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2-butan-2-yl-1,3-dimethylcyclohexane
SMILESCCC(C)C1C(C)CCCC1C
InChIInChI=1S/C12H24/c1-5-9(2)12-10(3)7-6-8-11(12)4/h9-12H,5-8H2,1-4H3
InChIKeyCKKDJLRXKXHENX-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
2-butan-2-yl-1,3,5-trimethylcyclohexane
CID 90972647
1-ethyl-3-methyl-2-propan-2-ylcyclohexane
CID 20695087
2-[(2S)-butan-2-yl]-1,1,3-trimethylcyclohexane
CID 163963914
2-(1-bromoethyl)-1,3-dimethylcyclohexane
CID 66469655
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
2-methylbutane;methylcyclobutane
CID 57473841
1-butan-2-yl-2-methylcyclohexane;hexane
CID 143477075
5-(2,6-dimethylcyclohexyl)hex-1-en-3-one
CID 143986956
1-(2,6-dimethylcyclohexyl)butan-1-ol
CID 83051760
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
1,3-dimethyl-2-pentan-3-ylcyclopentane
CID 123708942

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1,3-dimethylcyclohexane?
The IUPAC name of 2-butan-2-yl-1,3-dimethylcyclohexane (CID 123219049) is 2-butan-2-yl-1,3-dimethylcyclohexane.
What is the SMILES notation for 2-butan-2-yl-1,3-dimethylcyclohexane?
The canonical SMILES for 2-butan-2-yl-1,3-dimethylcyclohexane is CCC(C)C1C(C)CCCC1C.
What is the InChIKey of 2-butan-2-yl-1,3-dimethylcyclohexane?
The InChIKey is CKKDJLRXKXHENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-9(2)12-10(3)7-6-8-11(12)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-butan-2-yl-1,3-dimethylcyclohexane?
2-butan-2-yl-1,3-dimethylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1,3-dimethylcyclohexane is sourced from PubChem (CID 123219049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).