1-(oxiran-2-ylmethyl)cyclohexan-1-ol

C9H16O2 — CID 11309643

IUPAC1-(oxiran-2-ylmethyl)cyclohexan-1-ol
SMILESOC1(CC2CO2)CCCCC1
InChIInChI=1S/C9H16O2/c10-9(6-8-7-11-8)4-2-1-3-5-9/h8,10H,1-7H2
InChIKeyWLBSIGOAHDUAQJ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.47
Rot. Bonds2

About 1-(oxiran-2-ylmethyl)cyclohexan-1-ol

1-(oxiran-2-ylmethyl)cyclohexan-1-ol (PubChem CID 11309643) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)cyclohexan-1-ol
PubChem CID11309643
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(oxiran-2-ylmethyl)cyclohexan-1-ol
SMILESOC1(CC2CO2)CCCCC1
InChIInChI=1S/C9H16O2/c10-9(6-8-7-11-8)4-2-1-3-5-9/h8,10H,1-7H2
InChIKeyWLBSIGOAHDUAQJ-UHFFFAOYSA-N
XLogP1.47
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(oxiran-2-ylmethyl)cyclohexan-1-ol (CID 11309643) is 1-(oxiran-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(oxiran-2-ylmethyl)cyclohexan-1-ol is OC1(CC2CO2)CCCCC1.
What is the InChIKey of 1-(oxiran-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is WLBSIGOAHDUAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-9(6-8-7-11-8)4-2-1-3-5-9/h8,10H,1-7H2.
What are the key properties of 1-(oxiran-2-ylmethyl)cyclohexan-1-ol?
1-(oxiran-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 11309643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).