2-(pentoxymethyl)oxirane

C16H32O4 — CID 160890113

IUPAC2-(pentoxymethyl)oxirane
SMILESCCCCCOCC1CO1.CCCCCOCC1CO1
InChIInChI=1S/2C8H16O2/c2*1-2-3-4-5-9-6-8-7-10-8/h2*8H,2-7H2,1H3
InChIKeySODQENKXEMASCQ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.18
Rot. Bonds12

About 2-(pentoxymethyl)oxirane

2-(pentoxymethyl)oxirane (PubChem CID 160890113) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(pentoxymethyl)oxirane.

Molecular Properties

Compound Name2-(pentoxymethyl)oxirane
PubChem CID160890113
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name2-(pentoxymethyl)oxirane
SMILESCCCCCOCC1CO1.CCCCCOCC1CO1
InChIInChI=1S/2C8H16O2/c2*1-2-3-4-5-9-6-8-7-10-8/h2*8H,2-7H2,1H3
InChIKeySODQENKXEMASCQ-UHFFFAOYSA-N
XLogP3.18
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
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
CID 166063430
CID 166063430
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668

Frequently Asked Questions

What is the IUPAC name of 2-(pentoxymethyl)oxirane?
The IUPAC name of 2-(pentoxymethyl)oxirane (CID 160890113) is 2-(pentoxymethyl)oxirane.
What is the SMILES notation for 2-(pentoxymethyl)oxirane?
The canonical SMILES for 2-(pentoxymethyl)oxirane is CCCCCOCC1CO1.CCCCCOCC1CO1.
What is the InChIKey of 2-(pentoxymethyl)oxirane?
The InChIKey is SODQENKXEMASCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O2/c2*1-2-3-4-5-9-6-8-7-10-8/h2*8H,2-7H2,1H3.
What are the key properties of 2-(pentoxymethyl)oxirane?
2-(pentoxymethyl)oxirane has a molecular weight of 288.43 g/mol, XLogP of 3.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentoxymethyl)oxirane is sourced from PubChem (CID 160890113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).