(E)-4-acetylpentadec-6-ene-2,14-dione

C17H28O3 — CID 89116696

IUPAC(E)-4-acetylpentadec-6-ene-2,14-dione
SMILESCC(=O)CCCCCC/C=C/CC(CC(C)=O)C(C)=O
InChIInChI=1S/C17H28O3/c1-14(18)11-9-7-5-4-6-8-10-12-17(16(3)20)13-15(2)19/h8,10,17H,4-7,9,11-13H2,1-3H3/b10-8+
InChIKeyUCBVAIFBVCRRSS-CSKARUKUSA-N
MW280.41 g/mol
LogP4.05
Rot. Bonds12

About (E)-4-acetylpentadec-6-ene-2,14-dione

(E)-4-acetylpentadec-6-ene-2,14-dione (PubChem CID 89116696) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (E)-4-acetylpentadec-6-ene-2,14-dione.

Molecular Properties

Compound Name(E)-4-acetylpentadec-6-ene-2,14-dione
PubChem CID89116696
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(E)-4-acetylpentadec-6-ene-2,14-dione
SMILESCC(=O)CCCCCC/C=C/CC(CC(C)=O)C(C)=O
InChIInChI=1S/C17H28O3/c1-14(18)11-9-7-5-4-6-8-10-12-17(16(3)20)13-15(2)19/h8,10,17H,4-7,9,11-13H2,1-3H3/b10-8+
InChIKeyUCBVAIFBVCRRSS-CSKARUKUSA-N
XLogP4.05
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutyl (E)-11-acetyl-13-oxotetradec-8-enoate
CID 89116697
hexadec-8-ene-2,15-dione
CID 91429732
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
henicos-9-en-2-one
CID 91100997
(Z)-tricos-16-en-2-one
CID 134866400
pentadec-10-en-2-one
CID 71443705
tetratriacont-20-en-2-one
CID 56637991
dodec-7-en-2-one
CID 123882998
disodium;hydride;(Z)-nonadec-10-en-2-one
CID 175011557

Frequently Asked Questions

What is the IUPAC name of (E)-4-acetylpentadec-6-ene-2,14-dione?
The IUPAC name of (E)-4-acetylpentadec-6-ene-2,14-dione (CID 89116696) is (E)-4-acetylpentadec-6-ene-2,14-dione.
What is the SMILES notation for (E)-4-acetylpentadec-6-ene-2,14-dione?
The canonical SMILES for (E)-4-acetylpentadec-6-ene-2,14-dione is CC(=O)CCCCCC/C=C/CC(CC(C)=O)C(C)=O.
What is the InChIKey of (E)-4-acetylpentadec-6-ene-2,14-dione?
The InChIKey is UCBVAIFBVCRRSS-CSKARUKUSA-N. The full InChI is InChI=1S/C17H28O3/c1-14(18)11-9-7-5-4-6-8-10-12-17(16(3)20)13-15(2)19/h8,10,17H,4-7,9,11-13H2,1-3H3/b10-8+.
What are the key properties of (E)-4-acetylpentadec-6-ene-2,14-dione?
(E)-4-acetylpentadec-6-ene-2,14-dione has a molecular weight of 280.41 g/mol, XLogP of 4.05, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-acetylpentadec-6-ene-2,14-dione is sourced from PubChem (CID 89116696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).