1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol

C12H20O4 — CID 151360819

IUPAC1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol
SMILESOC1(CC2CO2)CCCCC1(O)CC1CO1
InChIInChI=1S/C12H20O4/c13-11(5-9-7-15-9)3-1-2-4-12(11,14)6-10-8-16-10/h9-10,13-14H,1-8H2
InChIKeyOOLBZHCPOWDCOK-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.60
Rot. Bonds4

About 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol

1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol (PubChem CID 151360819) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol
PubChem CID151360819
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol
SMILESOC1(CC2CO2)CCCCC1(O)CC1CO1
InChIInChI=1S/C12H20O4/c13-11(5-9-7-15-9)3-1-2-4-12(11,14)6-10-8-16-10/h9-10,13-14H,1-8H2
InChIKeyOOLBZHCPOWDCOK-UHFFFAOYSA-N
XLogP0.60
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(oxiran-2-ylmethyl)oxan-4-ol
CID 131631933
(1S,2R,4R)-1,7,7-trimethyl-2-(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 175436353
1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]heptane
CID 87186406
bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate
CID 154293295
1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid
CID 135220836
1,2-bis(hydroxymethyl)cyclohexane-1,2-diol
CID 154235740
[4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol
CID 165442527
2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 19096529
1-[[(2R)-oxiran-2-yl]methyl]cyclopropane-1-carbonitrile
CID 125448984
1-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 65142760
2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 11997713
(1R,2S,4S)-1,3,3-trimethyl-2-[[(2R)-oxiran-2-yl]methyl]bicyclo[2.2.1]heptan-2-ol
CID 100962458

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol?
The IUPAC name of 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol (CID 151360819) is 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol.
What is the SMILES notation for 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol?
The canonical SMILES for 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol is OC1(CC2CO2)CCCCC1(O)CC1CO1.
What is the InChIKey of 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol?
The InChIKey is OOLBZHCPOWDCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c13-11(5-9-7-15-9)3-1-2-4-12(11,14)6-10-8-16-10/h9-10,13-14H,1-8H2.
What are the key properties of 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol?
1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol has a molecular weight of 228.29 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol is sourced from PubChem (CID 151360819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).