2-[1-(oxiran-2-yl)butoxymethyl]oxirane

C9H16O3 — CID 151610662

IUPAC2-[1-(oxiran-2-yl)butoxymethyl]oxirane
SMILESCCCC(OCC1CO1)C1CO1
InChIInChI=1S/C9H16O3/c1-2-3-8(9-6-12-9)11-5-7-4-10-7/h7-9H,2-6H2,1H3
InChIKeyQMKQUYCNYNPNJJ-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.97
Rot. Bonds6

About 2-[1-(oxiran-2-yl)butoxymethyl]oxirane

2-[1-(oxiran-2-yl)butoxymethyl]oxirane (PubChem CID 151610662) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-[1-(oxiran-2-yl)butoxymethyl]oxirane.

Molecular Properties

Compound Name2-[1-(oxiran-2-yl)butoxymethyl]oxirane
PubChem CID151610662
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-[1-(oxiran-2-yl)butoxymethyl]oxirane
SMILESCCCC(OCC1CO1)C1CO1
InChIInChI=1S/C9H16O3/c1-2-3-8(9-6-12-9)11-5-7-4-10-7/h7-9H,2-6H2,1H3
InChIKeyQMKQUYCNYNPNJJ-UHFFFAOYSA-N
XLogP0.97
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(oxiran-2-yl)-4-(oxiran-2-ylmethoxy)butanal
CID 23171381
2-(tetradecan-4-yloxymethyl)oxirane
CID 172858851
trimethyl-[1-(oxiran-2-yl)butoxy]silane
CID 87853116
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-[[2-(2-methoxyethoxy)-1-(oxiran-2-yl)ethoxy]methyl]oxirane
CID 87386866
2-(oxiran-2-ylmethoxy)hexan-3-amine
CID 163429320
2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane
CID 175223439
2-(1-ethenoxybutoxymethyl)oxirane
CID 87772830
2-(1-tetradecoxyicosyl)oxirane
CID 88767792
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
2-(propan-2-yloxymethyl)oxirane
CID 159998967
(2R)-2-[[(1S)-1-phenylbutoxy]methyl]oxirane
CID 124508039

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxiran-2-yl)butoxymethyl]oxirane?
The IUPAC name of 2-[1-(oxiran-2-yl)butoxymethyl]oxirane (CID 151610662) is 2-[1-(oxiran-2-yl)butoxymethyl]oxirane.
What is the SMILES notation for 2-[1-(oxiran-2-yl)butoxymethyl]oxirane?
The canonical SMILES for 2-[1-(oxiran-2-yl)butoxymethyl]oxirane is CCCC(OCC1CO1)C1CO1.
What is the InChIKey of 2-[1-(oxiran-2-yl)butoxymethyl]oxirane?
The InChIKey is QMKQUYCNYNPNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-3-8(9-6-12-9)11-5-7-4-10-7/h7-9H,2-6H2,1H3.
What are the key properties of 2-[1-(oxiran-2-yl)butoxymethyl]oxirane?
2-[1-(oxiran-2-yl)butoxymethyl]oxirane has a molecular weight of 172.22 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxiran-2-yl)butoxymethyl]oxirane is sourced from PubChem (CID 151610662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).