1-hexoxyhexane;oxiran-2-ylmethanol

C15H32O3 — CID 87532682

IUPAC1-hexoxyhexane;oxiran-2-ylmethanol
SMILESCCCCCCOCCCCCC.OCC1CO1
InChIInChI=1S/C12H26O.C3H6O2/c1-3-5-7-9-11-13-12-10-8-6-4-2;4-1-3-2-5-3/h3-12H2,1-2H3;3-4H,1-2H2
InChIKeyVIQXQMZVUKDCHU-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.54
Rot. Bonds11

About 1-hexoxyhexane;oxiran-2-ylmethanol

1-hexoxyhexane;oxiran-2-ylmethanol (PubChem CID 87532682) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-hexoxyhexane;oxiran-2-ylmethanol.

Molecular Properties

Compound Name1-hexoxyhexane;oxiran-2-ylmethanol
PubChem CID87532682
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name1-hexoxyhexane;oxiran-2-ylmethanol
SMILESCCCCCCOCCCCCC.OCC1CO1
InChIInChI=1S/C12H26O.C3H6O2/c1-3-5-7-9-11-13-12-10-8-6-4-2;4-1-3-2-5-3/h3-12H2,1-2H3;3-4H,1-2H2
InChIKeyVIQXQMZVUKDCHU-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.54
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'}

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Related Compounds

oxiran-2-ylmethanol;1-pentoxypentane
CID 174542251
2-(4-dodecoxybutyl)oxirane
CID 22900888
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
[(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol
CID 129383460

Frequently Asked Questions

What is the IUPAC name of 1-hexoxyhexane;oxiran-2-ylmethanol?
The IUPAC name of 1-hexoxyhexane;oxiran-2-ylmethanol (CID 87532682) is 1-hexoxyhexane;oxiran-2-ylmethanol.
What is the SMILES notation for 1-hexoxyhexane;oxiran-2-ylmethanol?
The canonical SMILES for 1-hexoxyhexane;oxiran-2-ylmethanol is CCCCCCOCCCCCC.OCC1CO1.
What is the InChIKey of 1-hexoxyhexane;oxiran-2-ylmethanol?
The InChIKey is VIQXQMZVUKDCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C3H6O2/c1-3-5-7-9-11-13-12-10-8-6-4-2;4-1-3-2-5-3/h3-12H2,1-2H3;3-4H,1-2H2.
What are the key properties of 1-hexoxyhexane;oxiran-2-ylmethanol?
1-hexoxyhexane;oxiran-2-ylmethanol has a molecular weight of 260.42 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxyhexane;oxiran-2-ylmethanol is sourced from PubChem (CID 87532682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).