[1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol

C11H18O3 — CID 15734529

IUPAC[1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol
SMILESOCC1(COCC2CO2)CC=CCC1
InChIInChI=1S/C11H18O3/c12-8-11(4-2-1-3-5-11)9-13-6-10-7-14-10/h1-2,10,12H,3-9H2
InChIKeyAMQMUZKHFVSCGX-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.12
Rot. Bonds5

About [1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol

[1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol (PubChem CID 15734529) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is [1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol
PubChem CID15734529
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name[1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol
SMILESOCC1(COCC2CO2)CC=CCC1
InChIInChI=1S/C11H18O3/c12-8-11(4-2-1-3-5-11)9-13-6-10-7-14-10/h1-2,10,12H,3-9H2
InChIKeyAMQMUZKHFVSCGX-UHFFFAOYSA-N
XLogP1.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(Oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxymethyl]oxirane
CID 155111
(Z,2R)-5-(2,3-dimethyloxiran-2-yl)-6,6-dimethylhept-3-ene-2,5-diol
CID 134854683
(7-Oxabicyclo[4.1.0]hept-3-en-1-yl)methanol
CID 12662993
[(2R,3R)-3-[(E,2R)-hex-4-en-2-yl]oxiran-2-yl]methanol
CID 131248788
(Z)-5-(2,3-dimethyloxiran-2-yl)-6,6-dimethylhept-3-ene-2,5-diol
CID 134896140
Oxirane, [(3-cyclohexen-1-ylmethoxy)methyl]-
CID 2771947
[3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol
CID 14039813
1-[(2,6,6-Trimethylcyclohex-3-en-1-yl)oxy]pentan-2-ol
CID 20238245
1-[[6-(Oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxy]butan-2-ol
CID 20685099
2-[(6-Methylcyclohex-3-en-1-yl)methoxy]propane-1,3-diol
CID 22634735
(3-Hex-4-en-2-yloxiran-2-yl)methanol
CID 53644645
2-Propyloxirane;2,6,6-trimethylcyclohex-3-en-1-ol
CID 88708724

Frequently Asked Questions

What is the IUPAC name of [1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol (CID 15734529) is [1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol is OCC1(COCC2CO2)CC=CCC1.
What is the InChIKey of [1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is AMQMUZKHFVSCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-8-11(4-2-1-3-5-11)9-13-6-10-7-14-10/h1-2,10,12H,3-9H2.
What are the key properties of [1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol?
[1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 198.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 15734529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).