(E)-9-propoxynon-2-ene

C12H24O — CID 22172137

IUPAC(E)-9-propoxynon-2-ene
SMILESC/C=C/CCCCCCOCCC
InChIInChI=1S/C12H24O/c1-3-5-6-7-8-9-10-12-13-11-4-2/h3,5H,4,6-12H2,1-2H3/b5-3+
InChIKeyJYSOLCSXHVPSQO-HWKANZROSA-N
MW184.32 g/mol
LogP3.94
Rot. Bonds9

About (E)-9-propoxynon-2-ene

(E)-9-propoxynon-2-ene (PubChem CID 22172137) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (E)-9-propoxynon-2-ene.

Molecular Properties

Compound Name(E)-9-propoxynon-2-ene
PubChem CID22172137
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(E)-9-propoxynon-2-ene
SMILESC/C=C/CCCCCCOCCC
InChIInChI=1S/C12H24O/c1-3-5-6-7-8-9-10-12-13-11-4-2/h3,5H,4,6-12H2,1-2H3/b5-3+
InChIKeyJYSOLCSXHVPSQO-HWKANZROSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-9-propoxynon-2-ene?
The IUPAC name of (E)-9-propoxynon-2-ene (CID 22172137) is (E)-9-propoxynon-2-ene.
What is the SMILES notation for (E)-9-propoxynon-2-ene?
The canonical SMILES for (E)-9-propoxynon-2-ene is C/C=C/CCCCCCOCCC.
What is the InChIKey of (E)-9-propoxynon-2-ene?
The InChIKey is JYSOLCSXHVPSQO-HWKANZROSA-N. The full InChI is InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-12-13-11-4-2/h3,5H,4,6-12H2,1-2H3/b5-3+.
What are the key properties of (E)-9-propoxynon-2-ene?
(E)-9-propoxynon-2-ene has a molecular weight of 184.32 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-propoxynon-2-ene is sourced from PubChem (CID 22172137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).