[(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane

C18H25P — CID 134462409

IUPAC[(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane
SMILESC=C/C=C\C(=C/C=C)C(C)(CC)P/C(C=C)=C/C=C
InChIInChI=1S/C18H25P/c1-7-12-15-16(13-8-2)18(6,11-5)19-17(10-4)14-9-3/h7-10,12-15,19H,1-4,11H2,5-6H3/b15-12-,16-13+,17-14+
InChIKeyGLXCQAXJKBMMLE-PDRHLSLFSA-N
MW272.37 g/mol
LogP5.94
Rot. Bonds9

About [(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane

[(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane (PubChem CID 134462409) has the molecular formula C18H25P and a molecular weight of 272.37 g/mol. Its IUPAC name is [(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane.

Molecular Properties

Compound Name[(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane
PubChem CID134462409
Molecular FormulaC18H25P
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name[(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane
SMILESC=C/C=C\C(=C/C=C)C(C)(CC)P/C(C=C)=C/C=C
InChIInChI=1S/C18H25P/c1-7-12-15-16(13-8-2)18(6,11-5)19-17(10-4)14-9-3/h7-10,12-15,19H,1-4,11H2,5-6H3/b15-12-,16-13+,17-14+
InChIKeyGLXCQAXJKBMMLE-PDRHLSLFSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.37
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene
CID 130337292
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
(3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol
CID 129201664
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
(3Z)-2-(ethyldisulfanyl)hexa-1,3,5-triene
CID 89328763
(3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene
CID 145089593
(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene
CID 143216884
[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane
CID 166918085
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248
dimethyl-[(3Z,5Z)-octa-1,3,5,7-tetraen-4-yl]borane
CID 174032473
(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
CID 143006429
(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
CID 162361818

Frequently Asked Questions

What is the IUPAC name of [(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane?
The IUPAC name of [(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane (CID 134462409) is [(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane.
What is the SMILES notation for [(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane?
The canonical SMILES for [(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane is C=C/C=C\C(=C/C=C)C(C)(CC)P/C(C=C)=C/C=C.
What is the InChIKey of [(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane?
The InChIKey is GLXCQAXJKBMMLE-PDRHLSLFSA-N. The full InChI is InChI=1S/C18H25P/c1-7-12-15-16(13-8-2)18(6,11-5)19-17(10-4)14-9-3/h7-10,12-15,19H,1-4,11H2,5-6H3/b15-12-,16-13+,17-14+.
What are the key properties of [(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane?
[(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane has a molecular weight of 272.37 g/mol, XLogP of 5.94, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-hexa-1,3,5-trien-3-yl]-[(4E,5Z)-3-methyl-4-prop-2-enylideneocta-5,7-dien-3-yl]phosphane is sourced from PubChem (CID 134462409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).