(5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one

C19H25O2P — CID 175623797

IUPAC(5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one
SMILESC/C=C(\C=C/C(=C\C)OC)CCCC(=O)Pc1ccccc1
InChIInChI=1S/C19H25O2P/c1-4-16(14-15-17(5-2)21-3)10-9-13-19(20)22-18-11-7-6-8-12-18/h4-8,11-12,14-15,22H,9-10,13H2,1-3H3/b15-14-,16-4-,17-5+
InChIKeyIWTKBVNZPHRRBL-KKWJMUCBSA-N
MW316.38 g/mol
LogP4.74
Rot. Bonds9

About (5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one

(5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one (PubChem CID 175623797) has the molecular formula C19H25O2P and a molecular weight of 316.38 g/mol. Its IUPAC name is (5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one.

Molecular Properties

Compound Name(5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one
PubChem CID175623797
Molecular FormulaC19H25O2P
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one
SMILESC/C=C(\C=C/C(=C\C)OC)CCCC(=O)Pc1ccccc1
InChIInChI=1S/C19H25O2P/c1-4-16(14-15-17(5-2)21-3)10-9-13-19(20)22-18-11-7-6-8-12-18/h4-8,11-12,14-15,22H,9-10,13H2,1-3H3/b15-14-,16-4-,17-5+
InChIKeyIWTKBVNZPHRRBL-KKWJMUCBSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(Z)-but-2-enedioic acid;bis(diphenylphosphane)
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(E)-4-[(4-methoxycarbonylphenyl)methylamino]-4-oxobut-2-enoic acid
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O-methyl N-(3-phenylprop-2-enoyl)carbamothioate
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CID 142087261

Frequently Asked Questions

What is the IUPAC name of (5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one?
The IUPAC name of (5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one (CID 175623797) is (5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one.
What is the SMILES notation for (5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one?
The canonical SMILES for (5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one is C/C=C(\C=C/C(=C\C)OC)CCCC(=O)Pc1ccccc1.
What is the InChIKey of (5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one?
The InChIKey is IWTKBVNZPHRRBL-KKWJMUCBSA-N. The full InChI is InChI=1S/C19H25O2P/c1-4-16(14-15-17(5-2)21-3)10-9-13-19(20)22-18-11-7-6-8-12-18/h4-8,11-12,14-15,22H,9-10,13H2,1-3H3/b15-14-,16-4-,17-5+.
What are the key properties of (5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one?
(5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one has a molecular weight of 316.38 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z,8E)-5-ethylidene-8-methoxy-1-phenylphosphanyldeca-6,8-dien-1-one is sourced from PubChem (CID 175623797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).