[4-(hydroxymethyl)cyclohexyl]methanol;oxirane

C10H20O3 — CID 87065906

IUPAC[4-(hydroxymethyl)cyclohexyl]methanol;oxirane
SMILESC1CO1.OCC1CCC(CO)CC1
InChIInChI=1S/C8H16O2.C2H4O/c9-5-7-1-2-8(6-10)4-3-7;1-2-3-1/h7-10H,1-6H2;1-2H2
InChIKeyUCHGOTBQZQAGBC-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.79
Rot. Bonds2

About [4-(hydroxymethyl)cyclohexyl]methanol;oxirane

[4-(hydroxymethyl)cyclohexyl]methanol;oxirane (PubChem CID 87065906) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is [4-(hydroxymethyl)cyclohexyl]methanol;oxirane.

Molecular Properties

Compound Name[4-(hydroxymethyl)cyclohexyl]methanol;oxirane
PubChem CID87065906
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name[4-(hydroxymethyl)cyclohexyl]methanol;oxirane
SMILESC1CO1.OCC1CCC(CO)CC1
InChIInChI=1S/C8H16O2.C2H4O/c9-5-7-1-2-8(6-10)4-3-7;1-2-3-1/h7-10H,1-6H2;1-2H2
InChIKeyUCHGOTBQZQAGBC-UHFFFAOYSA-N
XLogP0.79
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [4-(hydroxymethyl)cyclohexyl]methanol;oxirane?
The IUPAC name of [4-(hydroxymethyl)cyclohexyl]methanol;oxirane (CID 87065906) is [4-(hydroxymethyl)cyclohexyl]methanol;oxirane.
What is the SMILES notation for [4-(hydroxymethyl)cyclohexyl]methanol;oxirane?
The canonical SMILES for [4-(hydroxymethyl)cyclohexyl]methanol;oxirane is C1CO1.OCC1CCC(CO)CC1.
What is the InChIKey of [4-(hydroxymethyl)cyclohexyl]methanol;oxirane?
The InChIKey is UCHGOTBQZQAGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H4O/c9-5-7-1-2-8(6-10)4-3-7;1-2-3-1/h7-10H,1-6H2;1-2H2.
What are the key properties of [4-(hydroxymethyl)cyclohexyl]methanol;oxirane?
[4-(hydroxymethyl)cyclohexyl]methanol;oxirane has a molecular weight of 188.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)cyclohexyl]methanol;oxirane is sourced from PubChem (CID 87065906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).