[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid

C6H11O2P — CID 88557660

IUPAC[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid
SMILESC=C(C)/C=C(/C)P(O)O
InChIInChI=1S/C6H11O2P/c1-5(2)4-6(3)9(7)8/h4,7-8H,1H2,2-3H3/b6-4-
InChIKeyIMMFCKQTSXRYAB-XQRVVYSFSA-N
MW146.13 g/mol
LogP1.76
Rot. Bonds2

About [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid

[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid (PubChem CID 88557660) has the molecular formula C6H11O2P and a molecular weight of 146.13 g/mol. Its IUPAC name is [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid.

Molecular Properties

Compound Name[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid
PubChem CID88557660
Molecular FormulaC6H11O2P
Molecular Weight146.13 g/mol
Exact Mass146.05
IUPAC Name[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid
SMILESC=C(C)/C=C(/C)P(O)O
InChIInChI=1S/C6H11O2P/c1-5(2)4-6(3)9(7)8/h4,7-8H,1H2,2-3H3/b6-4-
InChIKeyIMMFCKQTSXRYAB-XQRVVYSFSA-N
XLogP1.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid?
The IUPAC name of [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid (CID 88557660) is [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid.
What is the SMILES notation for [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid?
The canonical SMILES for [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid is C=C(C)/C=C(/C)P(O)O.
What is the InChIKey of [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid?
The InChIKey is IMMFCKQTSXRYAB-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11O2P/c1-5(2)4-6(3)9(7)8/h4,7-8H,1H2,2-3H3/b6-4-.
What are the key properties of [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid?
[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid has a molecular weight of 146.13 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonous acid is sourced from PubChem (CID 88557660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).