3-(oxiran-2-ylmethyl)pentan-3-ol

C8H16O2 — CID 12835182

IUPAC3-(oxiran-2-ylmethyl)pentan-3-ol
SMILESCCC(O)(CC)CC1CO1
InChIInChI=1S/C8H16O2/c1-3-8(9,4-2)5-7-6-10-7/h7,9H,3-6H2,1-2H3
InChIKeyPDDPYJJMBKWNPO-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.33
Rot. Bonds4

About 3-(oxiran-2-ylmethyl)pentan-3-ol

3-(oxiran-2-ylmethyl)pentan-3-ol (PubChem CID 12835182) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethyl)pentan-3-ol.

Molecular Properties

Compound Name3-(oxiran-2-ylmethyl)pentan-3-ol
PubChem CID12835182
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-(oxiran-2-ylmethyl)pentan-3-ol
SMILESCCC(O)(CC)CC1CO1
InChIInChI=1S/C8H16O2/c1-3-8(9,4-2)5-7-6-10-7/h7,9H,3-6H2,1-2H3
InChIKeyPDDPYJJMBKWNPO-UHFFFAOYSA-N
XLogP1.33
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(oxiran-2-ylmethyl)pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Oxiran-2-ylmethyl)cyclohexan-1-ol
CID 11309643
2-Methyl-1-(oxiran-2-yl)butan-2-ol
CID 15555940
1-(2,3-Epoxypropyl)-cyclododecan-1-ol
CID 59365112
3,3-Dimethyl-1-(oxiran-2-yl)butan-2-ol
CID 18626408
1-(2-Methoxypropyl)-2-methylcyclopropan-1-ol
CID 22979291
4-(3-Methyloxiran-2-yl)heptan-4-ol
CID 91000230
2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol
CID 134930685
(2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol
CID 134945501
3-[(2-Methyloxiran-2-yl)methyl]pentan-3-ol
CID 135080514
2,4-Dimethyl-1-(oxiran-2-yl)pentan-2-ol
CID 170847999
(2R)-2-[(2R,3S)-3-methyloxiran-2-yl]pentan-2-ol
CID 178416882
2-Methyl-1-(oxiran-2-yl)propan-2-ol
CID 10240797

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethyl)pentan-3-ol?
The IUPAC name of 3-(oxiran-2-ylmethyl)pentan-3-ol (CID 12835182) is 3-(oxiran-2-ylmethyl)pentan-3-ol.
What is the SMILES notation for 3-(oxiran-2-ylmethyl)pentan-3-ol?
The canonical SMILES for 3-(oxiran-2-ylmethyl)pentan-3-ol is CCC(O)(CC)CC1CO1.
What is the InChIKey of 3-(oxiran-2-ylmethyl)pentan-3-ol?
The InChIKey is PDDPYJJMBKWNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-8(9,4-2)5-7-6-10-7/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-(oxiran-2-ylmethyl)pentan-3-ol?
3-(oxiran-2-ylmethyl)pentan-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethyl)pentan-3-ol is sourced from PubChem (CID 12835182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).