[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol

C11H20O3 — CID 87202935

IUPAC[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol
SMILESOCC1CCC(COCC2CO2)CC1
InChIInChI=1S/C11H20O3/c12-5-9-1-3-10(4-2-9)6-13-7-11-8-14-11/h9-12H,1-8H2
InChIKeyYFQPJCUYATWTLO-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.20
Rot. Bonds5

About [4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol

[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol (PubChem CID 87202935) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol
PubChem CID87202935
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol
SMILESOCC1CCC(COCC2CO2)CC1
InChIInChI=1S/C11H20O3/c12-5-9-1-3-10(4-2-9)6-13-7-11-8-14-11/h9-12H,1-8H2
InChIKeyYFQPJCUYATWTLO-UHFFFAOYSA-N
XLogP1.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxirane, 2,2'-[1,4-cyclohexanediylbis(methyleneoxymethylene)]bis-
CID 61718
(3-Cyclohexyloxiran-2-yl)methanol
CID 13427835
[(2R,3R)-3-cyclohexyloxiran-2-yl]methanol
CID 11228930
2-[(Cyclohexylmethoxy)methyl]oxirane
CID 11435189
(-)-(2S,3S)-2,3-epoxy-3-cyclohexyl-1-propanol
CID 13427836
Cyclohexane-dimethanol glycidyl ether
CID 22481288
[(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol
CID 44517874
Cyclohexyl-(3,3-dimethyloxiran-2-yl)methanol
CID 57751985
2-[[4-(Hydroxymethyl)cyclohexyl]methoxy]ethanol
CID 20285610
[3-Cyclohexyl-2-(hydroxymethyl)oxiran-2-yl]methanol
CID 57275715
[4-(Butan-2-yloxymethyl)cyclohexyl]methanol
CID 57689084
[4-(Hydroxymethyl)cyclohexyl]methanol;oxirane
CID 87065906

Frequently Asked Questions

What is the IUPAC name of [4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol?
The IUPAC name of [4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol (CID 87202935) is [4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol?
The canonical SMILES for [4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol is OCC1CCC(COCC2CO2)CC1.
What is the InChIKey of [4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol?
The InChIKey is YFQPJCUYATWTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c12-5-9-1-3-10(4-2-9)6-13-7-11-8-14-11/h9-12H,1-8H2.
What are the key properties of [4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol?
[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol has a molecular weight of 200.28 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 87202935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).