oxiran-2-ylmethanol;1-pentoxypentane

C13H28O3 — CID 174542251

IUPACoxiran-2-ylmethanol;1-pentoxypentane
SMILESCCCCCOCCCCC.OCC1CO1
InChIInChI=1S/C10H22O.C3H6O2/c1-3-5-7-9-11-10-8-6-4-2;4-1-3-2-5-3/h3-10H2,1-2H3;3-4H,1-2H2
InChIKeyZEGPFKYQWSJTQX-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.76
Rot. Bonds9

About oxiran-2-ylmethanol;1-pentoxypentane

oxiran-2-ylmethanol;1-pentoxypentane (PubChem CID 174542251) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is oxiran-2-ylmethanol;1-pentoxypentane.

Molecular Properties

Compound Nameoxiran-2-ylmethanol;1-pentoxypentane
PubChem CID174542251
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Nameoxiran-2-ylmethanol;1-pentoxypentane
SMILESCCCCCOCCCCC.OCC1CO1
InChIInChI=1S/C10H22O.C3H6O2/c1-3-5-7-9-11-10-8-6-4-2;4-1-3-2-5-3/h3-10H2,1-2H3;3-4H,1-2H2
InChIKeyZEGPFKYQWSJTQX-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze oxiran-2-ylmethanol;1-pentoxypentane 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-hexoxyhexane;oxiran-2-ylmethanol
CID 87532682
2-(4-dodecoxybutyl)oxirane
CID 22900888
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-methyloxirane;1-octadecoxyoctadecane
CID 88807513
[(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol
CID 18644179

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethanol;1-pentoxypentane?
The IUPAC name of oxiran-2-ylmethanol;1-pentoxypentane (CID 174542251) is oxiran-2-ylmethanol;1-pentoxypentane.
What is the SMILES notation for oxiran-2-ylmethanol;1-pentoxypentane?
The canonical SMILES for oxiran-2-ylmethanol;1-pentoxypentane is CCCCCOCCCCC.OCC1CO1.
What is the InChIKey of oxiran-2-ylmethanol;1-pentoxypentane?
The InChIKey is ZEGPFKYQWSJTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C3H6O2/c1-3-5-7-9-11-10-8-6-4-2;4-1-3-2-5-3/h3-10H2,1-2H3;3-4H,1-2H2.
What are the key properties of oxiran-2-ylmethanol;1-pentoxypentane?
oxiran-2-ylmethanol;1-pentoxypentane has a molecular weight of 232.36 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethanol;1-pentoxypentane is sourced from PubChem (CID 174542251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).