1-(2,2-dimethylpropyl)cyclohexan-1-ol

C11H22O — CID 13319062

IUPAC1-(2,2-dimethylpropyl)cyclohexan-1-ol
SMILESCC(C)(C)CC1(O)CCCCC1
InChIInChI=1S/C11H22O/c1-10(2,3)9-11(12)7-5-4-6-8-11/h12H,4-9H2,1-3H3
InChIKeyYAEKSCGZGQIGQZ-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.12
Rot. Bonds1

About 1-(2,2-dimethylpropyl)cyclohexan-1-ol

1-(2,2-dimethylpropyl)cyclohexan-1-ol (PubChem CID 13319062) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)cyclohexan-1-ol
PubChem CID13319062
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-(2,2-dimethylpropyl)cyclohexan-1-ol
SMILESCC(C)(C)CC1(O)CCCCC1
InChIInChI=1S/C11H22O/c1-10(2,3)9-11(12)7-5-4-6-8-11/h12H,4-9H2,1-3H3
InChIKeyYAEKSCGZGQIGQZ-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(2,2-dimethylpropyl)cyclohexan-1-ol (CID 13319062) is 1-(2,2-dimethylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2,2-dimethylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2,2-dimethylpropyl)cyclohexan-1-ol is CC(C)(C)CC1(O)CCCCC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)cyclohexan-1-ol?
The InChIKey is YAEKSCGZGQIGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-10(2,3)9-11(12)7-5-4-6-8-11/h12H,4-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)cyclohexan-1-ol?
1-(2,2-dimethylpropyl)cyclohexan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 13319062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).