ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate

C23H27O2P — CID 143257589

IUPACethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate
SMILESC/C=C\C(=C/C)P(=CC(=O)OC)(c1ccccc1)c1ccccc1.C=C
InChIInChI=1S/C21H23O2P.C2H4/c1-4-12-18(5-2)24(17-21(22)23-3,19-13-8-6-9-14-19)20-15-10-7-11-16-20;1-2/h4-17H,1-3H3;1-2H2/b12-4-,18-5+;
InChIKeyLKSIYSGMBPDARY-SFDQNODBSA-N
MW366.44 g/mol
LogP4.91
Rot. Bonds5

About ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate

ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate (PubChem CID 143257589) has the molecular formula C23H27O2P and a molecular weight of 366.44 g/mol. Its IUPAC name is ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate.

Molecular Properties

Compound Nameethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate
PubChem CID143257589
Molecular FormulaC23H27O2P
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Nameethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate
SMILESC/C=C\C(=C/C)P(=CC(=O)OC)(c1ccccc1)c1ccccc1.C=C
InChIInChI=1S/C21H23O2P.C2H4/c1-4-12-18(5-2)24(17-21(22)23-3,19-13-8-6-9-14-19)20-15-10-7-11-16-20;1-2/h4-17H,1-3H3;1-2H2/b12-4-,18-5+;
InChIKeyLKSIYSGMBPDARY-SFDQNODBSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate?
The IUPAC name of ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate (CID 143257589) is ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate.
What is the SMILES notation for ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate?
The canonical SMILES for ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate is C/C=C\C(=C/C)P(=CC(=O)OC)(c1ccccc1)c1ccccc1.C=C.
What is the InChIKey of ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate?
The InChIKey is LKSIYSGMBPDARY-SFDQNODBSA-N. The full InChI is InChI=1S/C21H23O2P.C2H4/c1-4-12-18(5-2)24(17-21(22)23-3,19-13-8-6-9-14-19)20-15-10-7-11-16-20;1-2/h4-17H,1-3H3;1-2H2/b12-4-,18-5+;.
What are the key properties of ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate?
ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate has a molecular weight of 366.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methyl 2-[[(2E,4Z)-hexa-2,4-dien-3-yl]-diphenyl-λ5-phosphanylidene]acetate is sourced from PubChem (CID 143257589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).