2,4-dimethyl-1-propylcyclohexan-1-ol

C11H22O — CID 64756023

IUPAC2,4-dimethyl-1-propylcyclohexan-1-ol
SMILESCCCC1(O)CCC(C)CC1C
InChIInChI=1S/C11H22O/c1-4-6-11(12)7-5-9(2)8-10(11)3/h9-10,12H,4-8H2,1-3H3
InChIKeyVKXPQZYOPZRMLO-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.97
Rot. Bonds2

About 2,4-dimethyl-1-propylcyclohexan-1-ol

2,4-dimethyl-1-propylcyclohexan-1-ol (PubChem CID 64756023) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,4-dimethyl-1-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-propylcyclohexan-1-ol
PubChem CID64756023
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,4-dimethyl-1-propylcyclohexan-1-ol
SMILESCCCC1(O)CCC(C)CC1C
InChIInChI=1S/C11H22O/c1-4-6-11(12)7-5-9(2)8-10(11)3/h9-10,12H,4-8H2,1-3H3
InChIKeyVKXPQZYOPZRMLO-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

Analyze 2,4-dimethyl-1-propylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-hydroxy-2,4-dimethylcyclohexyl)acetonitrile
CID 79118602
2,4-dimethyl-1-prop-2-ynylcyclohexan-1-ol
CID 64755610
1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol
CID 65444720
2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 64756673
[(1S,2R,4S)-1,2,4-trimethylcyclohexyl]methanol
CID 7061819
4-methyl-1-pentylcyclohexan-1-ol
CID 65147316
1,2-ditert-butyl-4-methylcyclohexan-1-ol
CID 147410667
1-cycloheptyl-2,4-dimethylcyclohexan-1-ol
CID 82929322
1-propylcyclodecane-1,2-diol
CID 173377333
trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol
CID 135054569
1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 103047644
2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107046074

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propylcyclohexan-1-ol?
The IUPAC name of 2,4-dimethyl-1-propylcyclohexan-1-ol (CID 64756023) is 2,4-dimethyl-1-propylcyclohexan-1-ol.
What is the SMILES notation for 2,4-dimethyl-1-propylcyclohexan-1-ol?
The canonical SMILES for 2,4-dimethyl-1-propylcyclohexan-1-ol is CCCC1(O)CCC(C)CC1C.
What is the InChIKey of 2,4-dimethyl-1-propylcyclohexan-1-ol?
The InChIKey is VKXPQZYOPZRMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-6-11(12)7-5-9(2)8-10(11)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-propylcyclohexan-1-ol?
2,4-dimethyl-1-propylcyclohexan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propylcyclohexan-1-ol is sourced from PubChem (CID 64756023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).