[(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid

C7H12ClO3P — CID 15359617

IUPAC[(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid
SMILESCC(C)=C(C)/C(Cl)=C/P(=O)(O)O
InChIInChI=1S/C7H12ClO3P/c1-5(2)6(3)7(8)4-12(9,10)11/h4H,1-3H3,(H2,9,10,11)/b7-4-
InChIKeyLFDYJCWFSUESJW-DAXSKMNVSA-N
MW210.60 g/mol
LogP2.60
Rot. Bonds2

About [(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid

[(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid (PubChem CID 15359617) has the molecular formula C7H12ClO3P and a molecular weight of 210.60 g/mol. Its IUPAC name is [(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid.

Molecular Properties

Compound Name[(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid
PubChem CID15359617
Molecular FormulaC7H12ClO3P
Molecular Weight210.60 g/mol
Exact Mass210.02
IUPAC Name[(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid
SMILESCC(C)=C(C)/C(Cl)=C/P(=O)(O)O
InChIInChI=1S/C7H12ClO3P/c1-5(2)6(3)7(8)4-12(9,10)11/h4H,1-3H3,(H2,9,10,11)/b7-4-
InChIKeyLFDYJCWFSUESJW-DAXSKMNVSA-N
XLogP2.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.60
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1E)-2-chlorobuta-1,3-dienyl]phosphonic acid
CID 88799713
(Z)-2-chloro-4-dichlorophosphorylpent-2-ene
CID 23264295
[(E)-2-phenylprop-1-enyl]phosphonic acid
CID 10954513
[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
[(E)-1-amino-2-phosphonoethenyl]phosphonic acid
CID 87839952
[hydroxy(methoxy)phosphoryl] 2,3-dimethylbut-2-eneperoxoate
CID 129241674
1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene
CID 23421012
1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene
CID 71390342
[(1Z,3Z)-3-ethyl-2-hydroxypenta-1,3-dienyl]phosphonic acid
CID 177409347
2-(2-fluorocyclohexyl)prop-1-enylphosphonic acid
CID 66796889
methanol;phosphoric acid;propan-2-one
CID 134563724
2,3-dimethylbut-2-enedioyl dichloride
CID 123868279

Frequently Asked Questions

What is the IUPAC name of [(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid?
The IUPAC name of [(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid (CID 15359617) is [(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid.
What is the SMILES notation for [(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid?
The canonical SMILES for [(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid is CC(C)=C(C)/C(Cl)=C/P(=O)(O)O.
What is the InChIKey of [(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid?
The InChIKey is LFDYJCWFSUESJW-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H12ClO3P/c1-5(2)6(3)7(8)4-12(9,10)11/h4H,1-3H3,(H2,9,10,11)/b7-4-.
What are the key properties of [(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid?
[(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid has a molecular weight of 210.60 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-chloro-3,4-dimethylpenta-1,3-dienyl]phosphonic acid is sourced from PubChem (CID 15359617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).