4-(oxiran-2-ylmethyl)oxan-4-ol

C8H14O3 — CID 131631933

IUPAC4-(oxiran-2-ylmethyl)oxan-4-ol
SMILESOC1(CC2CO2)CCOCC1
InChIInChI=1S/C8H14O3/c9-8(5-7-6-11-7)1-3-10-4-2-8/h7,9H,1-6H2
InChIKeyKLRMJNVQRFMHEJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.32
Rot. Bonds2

About 4-(oxiran-2-ylmethyl)oxan-4-ol

4-(oxiran-2-ylmethyl)oxan-4-ol (PubChem CID 131631933) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethyl)oxan-4-ol.

Molecular Properties

Compound Name4-(oxiran-2-ylmethyl)oxan-4-ol
PubChem CID131631933
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-(oxiran-2-ylmethyl)oxan-4-ol
SMILESOC1(CC2CO2)CCOCC1
InChIInChI=1S/C8H14O3/c9-8(5-7-6-11-7)1-3-10-4-2-8/h7,9H,1-6H2
InChIKeyKLRMJNVQRFMHEJ-UHFFFAOYSA-N
XLogP0.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.32
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

1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol
CID 151360819
4-[3-(oxolan-2-yl)propyl]oxan-4-ol
CID 65162115
4-(iodomethyl)oxan-4-ol
CID 66961892
1-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 65142760
4-butyloxan-4-ol
CID 65145508
ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
CID 10421345
4-pentyloxan-4-ol
CID 65145510
1-[[(2S)-oxiran-2-yl]methyl]cyclopropane-1-sulfonic acid
CID 135220836
1-(oxolan-3-ylmethyl)cyclobutan-1-ol
CID 115073595
4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol
CID 170904295
(4-hydroxyoxan-4-yl)methanesulfonic acid
CID 15312152
4-but-3-ynyloxepan-4-ol
CID 65078866

Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-ylmethyl)oxan-4-ol?
The IUPAC name of 4-(oxiran-2-ylmethyl)oxan-4-ol (CID 131631933) is 4-(oxiran-2-ylmethyl)oxan-4-ol.
What is the SMILES notation for 4-(oxiran-2-ylmethyl)oxan-4-ol?
The canonical SMILES for 4-(oxiran-2-ylmethyl)oxan-4-ol is OC1(CC2CO2)CCOCC1.
What is the InChIKey of 4-(oxiran-2-ylmethyl)oxan-4-ol?
The InChIKey is KLRMJNVQRFMHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-8(5-7-6-11-7)1-3-10-4-2-8/h7,9H,1-6H2.
What are the key properties of 4-(oxiran-2-ylmethyl)oxan-4-ol?
4-(oxiran-2-ylmethyl)oxan-4-ol has a molecular weight of 158.20 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethyl)oxan-4-ol is sourced from PubChem (CID 131631933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).