(E)-9-ethoxyundec-2-ene

C13H26O — CID 22172202

IUPAC(E)-9-ethoxyundec-2-ene
SMILESC/C=C/CCCCCC(CC)OCC
InChIInChI=1S/C13H26O/c1-4-7-8-9-10-11-12-13(5-2)14-6-3/h4,7,13H,5-6,8-12H2,1-3H3/b7-4+
InChIKeyHMQZNBWQCXJQEF-QPJJXVBHSA-N
MW198.35 g/mol
LogP4.33
Rot. Bonds9

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

(E)-9-ethoxyundec-2-ene (PubChem CID 22172202) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (E)-9-ethoxyundec-2-ene.

Molecular Properties

Compound Name(E)-9-ethoxyundec-2-ene
PubChem CID22172202
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(E)-9-ethoxyundec-2-ene
SMILESC/C=C/CCCCCC(CC)OCC
InChIInChI=1S/C13H26O/c1-4-7-8-9-10-11-12-13(5-2)14-6-3/h4,7,13H,5-6,8-12H2,1-3H3/b7-4+
InChIKeyHMQZNBWQCXJQEF-QPJJXVBHSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.33
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-ethoxyundec-2-ene?
The IUPAC name of (E)-9-ethoxyundec-2-ene (CID 22172202) is (E)-9-ethoxyundec-2-ene.
What is the SMILES notation for (E)-9-ethoxyundec-2-ene?
The canonical SMILES for (E)-9-ethoxyundec-2-ene is C/C=C/CCCCCC(CC)OCC.
What is the InChIKey of (E)-9-ethoxyundec-2-ene?
The InChIKey is HMQZNBWQCXJQEF-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H26O/c1-4-7-8-9-10-11-12-13(5-2)14-6-3/h4,7,13H,5-6,8-12H2,1-3H3/b7-4+.
What are the key properties of (E)-9-ethoxyundec-2-ene?
(E)-9-ethoxyundec-2-ene has a molecular weight of 198.35 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-ethoxyundec-2-ene is sourced from PubChem (CID 22172202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).