2-cyclobutyloxy-4-propylcyclohexan-1-ol

C13H24O2 — CID 62140098

IUPAC2-cyclobutyloxy-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(OC2CCC2)C1
InChIInChI=1S/C13H24O2/c1-2-4-10-7-8-12(14)13(9-10)15-11-5-3-6-11/h10-14H,2-9H2,1H3
InChIKeyLDMVLXJOOVSDCC-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.89
Rot. Bonds4

About 2-cyclobutyloxy-4-propylcyclohexan-1-ol

2-cyclobutyloxy-4-propylcyclohexan-1-ol (PubChem CID 62140098) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-cyclobutyloxy-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-cyclobutyloxy-4-propylcyclohexan-1-ol
PubChem CID62140098
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-cyclobutyloxy-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(OC2CCC2)C1
InChIInChI=1S/C13H24O2/c1-2-4-10-7-8-12(14)13(9-10)15-11-5-3-6-11/h10-14H,2-9H2,1H3
InChIKeyLDMVLXJOOVSDCC-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-4-propylcyclohexan-1-ol?
The IUPAC name of 2-cyclobutyloxy-4-propylcyclohexan-1-ol (CID 62140098) is 2-cyclobutyloxy-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-cyclobutyloxy-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-cyclobutyloxy-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(OC2CCC2)C1.
What is the InChIKey of 2-cyclobutyloxy-4-propylcyclohexan-1-ol?
The InChIKey is LDMVLXJOOVSDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-4-10-7-8-12(14)13(9-10)15-11-5-3-6-11/h10-14H,2-9H2,1H3.
What are the key properties of 2-cyclobutyloxy-4-propylcyclohexan-1-ol?
2-cyclobutyloxy-4-propylcyclohexan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-4-propylcyclohexan-1-ol is sourced from PubChem (CID 62140098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).