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

C6H11O3P — CID 53375251

IUPAC[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid
SMILESC=C(C)/C=C(/C)P(=O)(O)O
InChIInChI=1S/C6H11O3P/c1-5(2)4-6(3)10(7,8)9/h4H,1H2,2-3H3,(H2,7,8,9)/b6-4-
InChIKeySSUYASWJXAEBCY-XQRVVYSFSA-N
MW162.12 g/mol
LogP1.64
Rot. Bonds2

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

[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid (PubChem CID 53375251) has the molecular formula C6H11O3P and a molecular weight of 162.12 g/mol. Its IUPAC name is [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid
PubChem CID53375251
Molecular FormulaC6H11O3P
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Name[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid
SMILESC=C(C)/C=C(/C)P(=O)(O)O
InChIInChI=1S/C6H11O3P/c1-5(2)4-6(3)10(7,8)9/h4H,1H2,2-3H3,(H2,7,8,9)/b6-4-
InChIKeySSUYASWJXAEBCY-XQRVVYSFSA-N
XLogP1.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 51.64
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'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid?
The IUPAC name of [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid (CID 53375251) is [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid.
What is the SMILES notation for [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid?
The canonical SMILES for [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid is C=C(C)/C=C(/C)P(=O)(O)O.
What is the InChIKey of [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid?
The InChIKey is SSUYASWJXAEBCY-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11O3P/c1-5(2)4-6(3)10(7,8)9/h4H,1H2,2-3H3,(H2,7,8,9)/b6-4-.
What are the key properties of [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid?
[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid has a molecular weight of 162.12 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid is sourced from PubChem (CID 53375251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).