2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane

C13H26 — CID 19857490

IUPAC2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane
SMILESCC(C)(C)CC1CCCCC1(C)C
InChIInChI=1S/C13H26/c1-12(2,3)10-11-8-6-7-9-13(11,4)5/h11H,6-10H2,1-5H3
InChIKeyNGFOIIDHFMXWSL-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane

2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane (PubChem CID 19857490) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane
PubChem CID19857490
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane
SMILESCC(C)(C)CC1CCCCC1(C)C
InChIInChI=1S/C13H26/c1-12(2,3)10-11-8-6-7-9-13(11,4)5/h11H,6-10H2,1-5H3
InChIKeyNGFOIIDHFMXWSL-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane (CID 19857490) is 2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane is CC(C)(C)CC1CCCCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane?
The InChIKey is NGFOIIDHFMXWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-12(2,3)10-11-8-6-7-9-13(11,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane?
2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane is sourced from PubChem (CID 19857490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).