3-tert-butyl-1-methylcyclohexan-1-ol

C11H22O — CID 58395164

IUPAC3-tert-butyl-1-methylcyclohexan-1-ol
SMILESCC1(O)CCCC(C(C)(C)C)C1
InChIInChI=1S/C11H22O/c1-10(2,3)9-6-5-7-11(4,12)8-9/h9,12H,5-8H2,1-4H3
InChIKeySOJXYRQWOYARCJ-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.97
Rot. Bonds

About 3-tert-butyl-1-methylcyclohexan-1-ol

3-tert-butyl-1-methylcyclohexan-1-ol (PubChem CID 58395164) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-tert-butyl-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-tert-butyl-1-methylcyclohexan-1-ol
PubChem CID58395164
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-tert-butyl-1-methylcyclohexan-1-ol
SMILESCC1(O)CCCC(C(C)(C)C)C1
InChIInChI=1S/C11H22O/c1-10(2,3)9-6-5-7-11(4,12)8-9/h9,12H,5-8H2,1-4H3
InChIKeySOJXYRQWOYARCJ-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylcyclohexan-1-ol?
The IUPAC name of 3-tert-butyl-1-methylcyclohexan-1-ol (CID 58395164) is 3-tert-butyl-1-methylcyclohexan-1-ol.
What is the SMILES notation for 3-tert-butyl-1-methylcyclohexan-1-ol?
The canonical SMILES for 3-tert-butyl-1-methylcyclohexan-1-ol is CC1(O)CCCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-methylcyclohexan-1-ol?
The InChIKey is SOJXYRQWOYARCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-10(2,3)9-6-5-7-11(4,12)8-9/h9,12H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-1-methylcyclohexan-1-ol?
3-tert-butyl-1-methylcyclohexan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylcyclohexan-1-ol is sourced from PubChem (CID 58395164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).