2-hexoxy-3-nonyloxirene

C17H32O2 — CID 140533265

IUPAC2-hexoxy-3-nonyloxirene
SMILESCCCCCCCCCC1=C(OCCCCCC)O1
InChIInChI=1S/C17H32O2/c1-3-5-7-9-10-11-12-14-16-17(19-16)18-15-13-8-6-4-2/h3-15H2,1-2H3
InChIKeyRYAYUXIZINNUBR-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.92
Rot. Bonds14

About 2-hexoxy-3-nonyloxirene

2-hexoxy-3-nonyloxirene (PubChem CID 140533265) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-hexoxy-3-nonyloxirene.

Molecular Properties

Compound Name2-hexoxy-3-nonyloxirene
PubChem CID140533265
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2-hexoxy-3-nonyloxirene
SMILESCCCCCCCCCC1=C(OCCCCCC)O1
InChIInChI=1S/C17H32O2/c1-3-5-7-9-10-11-12-14-16-17(19-16)18-15-13-8-6-4-2/h3-15H2,1-2H3
InChIKeyRYAYUXIZINNUBR-UHFFFAOYSA-N
XLogP5.92
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-3-nonyloxirene?
The IUPAC name of 2-hexoxy-3-nonyloxirene (CID 140533265) is 2-hexoxy-3-nonyloxirene.
What is the SMILES notation for 2-hexoxy-3-nonyloxirene?
The canonical SMILES for 2-hexoxy-3-nonyloxirene is CCCCCCCCCC1=C(OCCCCCC)O1.
What is the InChIKey of 2-hexoxy-3-nonyloxirene?
The InChIKey is RYAYUXIZINNUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-3-5-7-9-10-11-12-14-16-17(19-16)18-15-13-8-6-4-2/h3-15H2,1-2H3.
What are the key properties of 2-hexoxy-3-nonyloxirene?
2-hexoxy-3-nonyloxirene has a molecular weight of 268.44 g/mol, XLogP of 5.92, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-3-nonyloxirene is sourced from PubChem (CID 140533265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).