(E)-11-propoxydodec-2-ene

C15H30O — CID 22172011

IUPAC(E)-11-propoxydodec-2-ene
SMILESC/C=C/CCCCCCCC(C)OCCC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-15(3)16-14-5-2/h4,6,15H,5,7-14H2,1-3H3/b6-4+
InChIKeyVKQGYLCVVKYSKI-GQCTYLIASA-N
MW226.40 g/mol
LogP5.11
Rot. Bonds11

About (E)-11-propoxydodec-2-ene

(E)-11-propoxydodec-2-ene (PubChem CID 22172011) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (E)-11-propoxydodec-2-ene.

Molecular Properties

Compound Name(E)-11-propoxydodec-2-ene
PubChem CID22172011
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(E)-11-propoxydodec-2-ene
SMILESC/C=C/CCCCCCCC(C)OCCC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-15(3)16-14-5-2/h4,6,15H,5,7-14H2,1-3H3/b6-4+
InChIKeyVKQGYLCVVKYSKI-GQCTYLIASA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.11
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)-11-propoxydodec-2-ene?
The IUPAC name of (E)-11-propoxydodec-2-ene (CID 22172011) is (E)-11-propoxydodec-2-ene.
What is the SMILES notation for (E)-11-propoxydodec-2-ene?
The canonical SMILES for (E)-11-propoxydodec-2-ene is C/C=C/CCCCCCCC(C)OCCC.
What is the InChIKey of (E)-11-propoxydodec-2-ene?
The InChIKey is VKQGYLCVVKYSKI-GQCTYLIASA-N. The full InChI is InChI=1S/C15H30O/c1-4-6-7-8-9-10-11-12-13-15(3)16-14-5-2/h4,6,15H,5,7-14H2,1-3H3/b6-4+.
What are the key properties of (E)-11-propoxydodec-2-ene?
(E)-11-propoxydodec-2-ene has a molecular weight of 226.40 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-propoxydodec-2-ene is sourced from PubChem (CID 22172011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).