1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol

C13H24O — CID 106590452

IUPAC1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CCC2CC2)CC1
InChIInChI=1S/C13H24O/c1-12(2)7-9-13(14,10-8-12)6-5-11-3-4-11/h11,14H,3-10H2,1-2H3
InChIKeyUYDPRFFASDSXMG-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.51
Rot. Bonds3

About 1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol

1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol (PubChem CID 106590452) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol
PubChem CID106590452
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CCC2CC2)CC1
InChIInChI=1S/C13H24O/c1-12(2)7-9-13(14,10-8-12)6-5-11-3-4-11/h11,14H,3-10H2,1-2H3
InChIKeyUYDPRFFASDSXMG-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol (CID 106590452) is 1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(CCC2CC2)CC1.
What is the InChIKey of 1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is UYDPRFFASDSXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-12(2)7-9-13(14,10-8-12)6-5-11-3-4-11/h11,14H,3-10H2,1-2H3.
What are the key properties of 1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol?
1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 106590452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).