4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol

C10H18O3 — CID 129149310

IUPAC4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol
SMILESOC1CCC(COCC2CO2)CC1
InChIInChI=1S/C10H18O3/c11-9-3-1-8(2-4-9)5-12-6-10-7-13-10/h8-11H,1-7H2
InChIKeyJWACGGRRFSNEEY-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.95
Rot. Bonds4

About 4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol

4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol (PubChem CID 129149310) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol
PubChem CID129149310
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol
SMILESOC1CCC(COCC2CO2)CC1
InChIInChI=1S/C10H18O3/c11-9-3-1-8(2-4-9)5-12-6-10-7-13-10/h8-11H,1-7H2
InChIKeyJWACGGRRFSNEEY-UHFFFAOYSA-N
XLogP0.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.95
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

(4-Methoxycyclohexyl)methanol
CID 18533153
[4-(Propan-2-yloxy)cyclohexyl]methanol
CID 103942613
(3-Cyclohexyloxiran-2-yl)methanol
CID 13427835
[(2R,3R)-3-cyclohexyloxiran-2-yl]methanol
CID 11228930
(-)-(2S,3S)-2,3-epoxy-3-cyclohexyl-1-propanol
CID 13427836
1,4-Cyclohexanedimethanol glycidyl ether
CID 87202935
(4-Propoxycyclohexyl)methanol
CID 57067448
(4-Pentoxycyclohexyl)methanol
CID 106825417
[4-(Oxan-4-yloxy)cyclohexyl]methanol
CID 106825450
4-(Propoxymethyl)cyclohexan-1-ol
CID 117751511
3-(7-Oxabicyclo[4.1.0]heptan-3-ylmethoxy)propan-1-ol
CID 132244032
4-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]butan-1-ol
CID 10899167

Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol?
The IUPAC name of 4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol (CID 129149310) is 4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol is OC1CCC(COCC2CO2)CC1.
What is the InChIKey of 4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol?
The InChIKey is JWACGGRRFSNEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-9-3-1-8(2-4-9)5-12-6-10-7-13-10/h8-11H,1-7H2.
What are the key properties of 4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol?
4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethoxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 129149310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).