1,2,2-trimethylcyclohexan-1-ol

C9H18O — CID 5463846

IUPAC1,2,2-trimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1(C)O
InChIInChI=1S/C9H18O/c1-8(2)6-4-5-7-9(8,3)10/h10H,4-7H2,1-3H3
InChIKeyUENOQWSWMYJKIW-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.34
Rot. Bonds

About 1,2,2-trimethylcyclohexan-1-ol

1,2,2-trimethylcyclohexan-1-ol (PubChem CID 5463846) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1,2,2-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1,2,2-trimethylcyclohexan-1-ol
PubChem CID5463846
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1,2,2-trimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1(C)O
InChIInChI=1S/C9H18O/c1-8(2)6-4-5-7-9(8,3)10/h10H,4-7H2,1-3H3
InChIKeyUENOQWSWMYJKIW-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylcyclohexan-1-ol?
The IUPAC name of 1,2,2-trimethylcyclohexan-1-ol (CID 5463846) is 1,2,2-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1,2,2-trimethylcyclohexan-1-ol?
The canonical SMILES for 1,2,2-trimethylcyclohexan-1-ol is CC1(C)CCCCC1(C)O.
What is the InChIKey of 1,2,2-trimethylcyclohexan-1-ol?
The InChIKey is UENOQWSWMYJKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)6-4-5-7-9(8,3)10/h10H,4-7H2,1-3H3.
What are the key properties of 1,2,2-trimethylcyclohexan-1-ol?
1,2,2-trimethylcyclohexan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylcyclohexan-1-ol is sourced from PubChem (CID 5463846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).