2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol

C13H24O2 — CID 106203905

IUPAC2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(OCCC2CC2)C(O)C1
InChIInChI=1S/C13H24O2/c1-9-7-10(2)13(12(14)8-9)15-6-5-11-3-4-11/h9-14H,3-8H2,1-2H3
InChIKeyAUOQKSSEVCVXOH-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.60
Rot. Bonds4

About 2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol

2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol (PubChem CID 106203905) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol
PubChem CID106203905
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)C(OCCC2CC2)C(O)C1
InChIInChI=1S/C13H24O2/c1-9-7-10(2)13(12(14)8-9)15-6-5-11-3-4-11/h9-14H,3-8H2,1-2H3
InChIKeyAUOQKSSEVCVXOH-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol (CID 106203905) is 2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol is CC1CC(C)C(OCCC2CC2)C(O)C1.
What is the InChIKey of 2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is AUOQKSSEVCVXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-9-7-10(2)13(12(14)8-9)15-6-5-11-3-4-11/h9-14H,3-8H2,1-2H3.
What are the key properties of 2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol?
2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 106203905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).