methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid

C12H19O5P — CID 88788390

IUPACmethoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid
SMILESC=CCOC(=O)C(CC=C)(CC=C)P(=O)(O)OC
InChIInChI=1S/C12H19O5P/c1-5-8-12(9-6-2,18(14,15)16-4)11(13)17-10-7-3/h5-7H,1-3,8-10H2,4H3,(H,14,15)
InChIKeyAWOBCFAPUKCKFC-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.44
Rot. Bonds9

About methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid

methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid (PubChem CID 88788390) has the molecular formula C12H19O5P and a molecular weight of 274.25 g/mol. Its IUPAC name is methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid.

Molecular Properties

Compound Namemethoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid
PubChem CID88788390
Molecular FormulaC12H19O5P
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Namemethoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid
SMILESC=CCOC(=O)C(CC=C)(CC=C)P(=O)(O)OC
InChIInChI=1S/C12H19O5P/c1-5-8-12(9-6-2,18(14,15)16-4)11(13)17-10-7-3/h5-7H,1-3,8-10H2,4H3,(H,14,15)
InChIKeyAWOBCFAPUKCKFC-UHFFFAOYSA-N
XLogP2.44
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate
CID 87234106
prop-2-enyl 2-chloro-2-methylpropanoate
CID 21285838
prop-2-enyl 2,2-dimethyl-4-oxobutanoate
CID 163211524
bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate
CID 121263061
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422
nickel;prop-2-enyl 2,2,2-trifluoroacetate
CID 88780784
palladium;prop-2-enyl 2,2,2-trifluoroacetate
CID 175036312
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
prop-2-enyl 2,2-dibromobutanoate
CID 88675636
methyl (2S)-2-amino-2-methylpent-4-enoate
CID 10261200
2-ethyl-2-[hydroxy(prop-2-enoxy)phosphoryl]butanoic acid
CID 87623083
prop-2-enyl 2-dimethylphosphorylacetate
CID 89403002

Frequently Asked Questions

What is the IUPAC name of methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid?
The IUPAC name of methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid (CID 88788390) is methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid.
What is the SMILES notation for methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid?
The canonical SMILES for methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid is C=CCOC(=O)C(CC=C)(CC=C)P(=O)(O)OC.
What is the InChIKey of methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid?
The InChIKey is AWOBCFAPUKCKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O5P/c1-5-8-12(9-6-2,18(14,15)16-4)11(13)17-10-7-3/h5-7H,1-3,8-10H2,4H3,(H,14,15).
What are the key properties of methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid?
methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid has a molecular weight of 274.25 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(4-prop-2-enoxycarbonylhepta-1,6-dien-4-yl)phosphinic acid is sourced from PubChem (CID 88788390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).