3,3,5-trimethylcyclohexan-1-ol

C9H18O — CID 8298

IUPAC3,3,5-trimethylcyclohexan-1-ol
SMILESCC1CC(O)CC(C)(C)C1
InChIInChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3
InChIKeyBRRVXFOKWJKTGG-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.19
Rot. Bonds

About 3,3,5-trimethylcyclohexan-1-ol

3,3,5-trimethylcyclohexan-1-ol (PubChem CID 8298) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3,3,5-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5-trimethylcyclohexan-1-ol
PubChem CID8298
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3,3,5-trimethylcyclohexan-1-ol
SMILESCC1CC(O)CC(C)(C)C1
InChIInChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3
InChIKeyBRRVXFOKWJKTGG-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethylcyclohexan-1-ol?
The IUPAC name of 3,3,5-trimethylcyclohexan-1-ol (CID 8298) is 3,3,5-trimethylcyclohexan-1-ol.
What is the SMILES notation for 3,3,5-trimethylcyclohexan-1-ol?
The canonical SMILES for 3,3,5-trimethylcyclohexan-1-ol is CC1CC(O)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethylcyclohexan-1-ol?
The InChIKey is BRRVXFOKWJKTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 3,3,5-trimethylcyclohexan-1-ol?
3,3,5-trimethylcyclohexan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethylcyclohexan-1-ol is sourced from PubChem (CID 8298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).