ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane

C18H33FO — CID 143351155

IUPACethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane
SMILESC=C/C=C\C=C/C(C)C(F)C(C)=O.CC.CCC(C)C
InChIInChI=1S/C11H15FO.C5H12.C2H6/c1-4-5-6-7-8-9(2)11(12)10(3)13;1-4-5(2)3;1-2/h4-9,11H,1H2,2-3H3;5H,4H2,1-3H3;1-2H3/b6-5-,8-7-;;
InChIKeyDQOYIBAUZLDCQQ-SVHZMUBJSA-N
MW284.46 g/mol
LogP5.93
Rot. Bonds6

About ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane

ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane (PubChem CID 143351155) has the molecular formula C18H33FO and a molecular weight of 284.46 g/mol. Its IUPAC name is ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane.

Molecular Properties

Compound Nameethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane
PubChem CID143351155
Molecular FormulaC18H33FO
Molecular Weight284.46 g/mol
Exact Mass284.25
IUPAC Nameethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane
SMILESC=C/C=C\C=C/C(C)C(F)C(C)=O.CC.CCC(C)C
InChIInChI=1S/C11H15FO.C5H12.C2H6/c1-4-5-6-7-8-9(2)11(12)10(3)13;1-4-5(2)3;1-2/h4-9,11H,1H2,2-3H3;5H,4H2,1-3H3;1-2H3/b6-5-,8-7-;;
InChIKeyDQOYIBAUZLDCQQ-SVHZMUBJSA-N
XLogP5.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.46
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane with MolForge

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Related Compounds

(5E)-4-methylocta-5,7-dien-3-ol
CID 15579187
methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate
CID 143356405
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848
acetic acid;2-methylbutane
CID 172862544
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
(4E,6E)-nona-4,6,8-triene-2,3-diol
CID 15336475
ethane;3-ethyl-5-methylhexan-2-one
CID 143623383
(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
CID 145049129
(6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one
CID 126612378
tris(carbonofluoridic acid);2-methylbutane
CID 175037504
octa-3,5,7-triene-2-thiol
CID 141140060
(Z,4S,5S)-4,5-dimethylhept-2-enal;(3Z,5R,6S)-5,6-dimethylocta-1,3-diene;(Z,4S,5R)-5-hydroxy-4-methylhept-2-enal;(Z,4R,5R)-5-hydroxy-4-methylhept-2-enal
CID 163428427

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane?
The IUPAC name of ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane (CID 143351155) is ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane.
What is the SMILES notation for ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane?
The canonical SMILES for ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane is C=C/C=C\C=C/C(C)C(F)C(C)=O.CC.CCC(C)C.
What is the InChIKey of ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane?
The InChIKey is DQOYIBAUZLDCQQ-SVHZMUBJSA-N. The full InChI is InChI=1S/C11H15FO.C5H12.C2H6/c1-4-5-6-7-8-9(2)11(12)10(3)13;1-4-5(2)3;1-2/h4-9,11H,1H2,2-3H3;5H,4H2,1-3H3;1-2H3/b6-5-,8-7-;;.
What are the key properties of ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane?
ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane has a molecular weight of 284.46 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,7Z)-3-fluoro-4-methyldeca-5,7,9-trien-2-one;2-methylbutane is sourced from PubChem (CID 143351155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).