(6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one

C16H25FO — CID 176969057

IUPAC(6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one
SMILESC/C=C(\C=C/C(F)=C\C)C(CCC)CC(=O)CC
InChIInChI=1S/C16H25FO/c1-5-9-14(12-16(18)8-4)13(6-2)10-11-15(17)7-3/h6-7,10-11,14H,5,8-9,12H2,1-4H3/b11-10-,13-6+,15-7+
InChIKeyVNIMUNUOAGLQOS-KKMBRQIYSA-N
MW252.37 g/mol
LogP5.15
Rot. Bonds8

About (6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one

(6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one (PubChem CID 176969057) has the molecular formula C16H25FO and a molecular weight of 252.37 g/mol. Its IUPAC name is (6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one.

Molecular Properties

Compound Name(6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one
PubChem CID176969057
Molecular FormulaC16H25FO
Molecular Weight252.37 g/mol
Exact Mass252.19
IUPAC Name(6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one
SMILESC/C=C(\C=C/C(F)=C\C)C(CCC)CC(=O)CC
InChIInChI=1S/C16H25FO/c1-5-9-14(12-16(18)8-4)13(6-2)10-11-15(17)7-3/h6-7,10-11,14H,5,8-9,12H2,1-4H3/b11-10-,13-6+,15-7+
InChIKeyVNIMUNUOAGLQOS-KKMBRQIYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.37
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one with MolForge

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Related Compounds

5-propanoylnonane-3,7-dione
CID 58659698
5-aminooctan-3-one
CID 116607745
2-ethyl-4-oxohexanoic acid
CID 71436970
2-propylpentanoyl 2-propylpentanoate
CID 10923624
4-methylidene-5-propyloct-2-ene
CID 90714762
2-(hydroxymethyl)-4-oxohexanoic acid
CID 86044458
7-hydroxy-4,8-dipropylundec-6-en-5-one
CID 158748955
(Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine
CID 130217220
5-methylnonane-3,7-dione
CID 58421184
(5S)-5-methyloct-6-en-3-one
CID 91563956
1-ethoxy-7-fluoro-1-hydroxy-4-methylidenenona-5,7-dien-3-one
CID 91497339
(Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one
CID 176969437

Frequently Asked Questions

What is the IUPAC name of (6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one?
The IUPAC name of (6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one (CID 176969057) is (6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one.
What is the SMILES notation for (6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one?
The canonical SMILES for (6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one is C/C=C(\C=C/C(F)=C\C)C(CCC)CC(=O)CC.
What is the InChIKey of (6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one?
The InChIKey is VNIMUNUOAGLQOS-KKMBRQIYSA-N. The full InChI is InChI=1S/C16H25FO/c1-5-9-14(12-16(18)8-4)13(6-2)10-11-15(17)7-3/h6-7,10-11,14H,5,8-9,12H2,1-4H3/b11-10-,13-6+,15-7+.
What are the key properties of (6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one?
(6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one has a molecular weight of 252.37 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,7Z,9E)-6-ethylidene-9-fluoro-5-propylundeca-7,9-dien-3-one is sourced from PubChem (CID 176969057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).