2-(3-hexoxypropyl)oxirane

C11H22O2 — CID 22934414

IUPAC2-(3-hexoxypropyl)oxirane
SMILESCCCCCCOCCCC1CO1
InChIInChI=1S/C11H22O2/c1-2-3-4-5-8-12-9-6-7-11-10-13-11/h11H,2-10H2,1H3
InChIKeyMBKCQRUGRVFHLP-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.76
Rot. Bonds9

About 2-(3-hexoxypropyl)oxirane

2-(3-hexoxypropyl)oxirane (PubChem CID 22934414) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(3-hexoxypropyl)oxirane.

Molecular Properties

Compound Name2-(3-hexoxypropyl)oxirane
PubChem CID22934414
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(3-hexoxypropyl)oxirane
SMILESCCCCCCOCCCC1CO1
InChIInChI=1S/C11H22O2/c1-2-3-4-5-8-12-9-6-7-11-10-13-11/h11H,2-10H2,1H3
InChIKeyMBKCQRUGRVFHLP-UHFFFAOYSA-N
XLogP2.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-Methoxy-5-butoxyhexane
CID 13262441
2-(3-Nonoxypropyl)oxirane
CID 15686950
Mono(2,3-epoxypropyl)propylether
CID 57128505
2-(3-Ethoxybutyl)oxirane
CID 129845895
2-[3-[2-(2-Ethoxyethoxy)ethoxy]propyl]oxirane
CID 162396138
2-(4-Propoxybutyl)oxirane
CID 13509172
2,3-Bis(2-methoxyethyl)oxirane
CID 21447534
2-(3-Propoxypropyl)-3-propyloxirane
CID 21447537
2-[2-[1-(Oxiran-2-yl)butan-2-yloxy]butyl]oxirane
CID 22134025
2-Methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane
CID 22768316
2-(2-Heptoxyethyl)oxirane
CID 22934394
2-(2-Hexoxyethyl)oxirane
CID 22934406

Frequently Asked Questions

What is the IUPAC name of 2-(3-hexoxypropyl)oxirane?
The IUPAC name of 2-(3-hexoxypropyl)oxirane (CID 22934414) is 2-(3-hexoxypropyl)oxirane.
What is the SMILES notation for 2-(3-hexoxypropyl)oxirane?
The canonical SMILES for 2-(3-hexoxypropyl)oxirane is CCCCCCOCCCC1CO1.
What is the InChIKey of 2-(3-hexoxypropyl)oxirane?
The InChIKey is MBKCQRUGRVFHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-2-3-4-5-8-12-9-6-7-11-10-13-11/h11H,2-10H2,1H3.
What are the key properties of 2-(3-hexoxypropyl)oxirane?
2-(3-hexoxypropyl)oxirane has a molecular weight of 186.29 g/mol, XLogP of 2.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hexoxypropyl)oxirane is sourced from PubChem (CID 22934414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).