(E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione

C15H24O3 — CID 129295997

IUPAC(E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione
SMILESCC/C=C(\C=C/COC)C(=O)CCCCC(C)=O
InChIInChI=1S/C15H24O3/c1-4-8-14(10-7-12-18-3)15(17)11-6-5-9-13(2)16/h7-8,10H,4-6,9,11-12H2,1-3H3/b10-7-,14-8+
InChIKeyFAXVBBKJNZULGV-GBJAUHPPSA-N
MW252.35 g/mol
LogP3.24
Rot. Bonds10

About (E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione

(E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione (PubChem CID 129295997) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione.

Molecular Properties

Compound Name(E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione
PubChem CID129295997
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione
SMILESCC/C=C(\C=C/COC)C(=O)CCCCC(C)=O
InChIInChI=1S/C15H24O3/c1-4-8-14(10-7-12-18-3)15(17)11-6-5-9-13(2)16/h7-8,10H,4-6,9,11-12H2,1-3H3/b10-7-,14-8+
InChIKeyFAXVBBKJNZULGV-GBJAUHPPSA-N
XLogP3.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione?
The IUPAC name of (E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione (CID 129295997) is (E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione.
What is the SMILES notation for (E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione?
The canonical SMILES for (E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione is CC/C=C(\C=C/COC)C(=O)CCCCC(C)=O.
What is the InChIKey of (E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione?
The InChIKey is FAXVBBKJNZULGV-GBJAUHPPSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-8-14(10-7-12-18-3)15(17)11-6-5-9-13(2)16/h7-8,10H,4-6,9,11-12H2,1-3H3/b10-7-,14-8+.
What are the key properties of (E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione?
(E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione has a molecular weight of 252.35 g/mol, XLogP of 3.24, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[(Z)-3-methoxyprop-1-enyl]undec-8-ene-2,7-dione is sourced from PubChem (CID 129295997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).