hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium

C6H10O2P+ — CID 88854983

IUPAChydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium
SMILESC=C(C)/C=C(/C)[P+](=O)O
InChIInChI=1S/C6H9O2P/c1-5(2)4-6(3)9(7)8/h4H,1H2,2-3H3/p+1/b6-4-
InChIKeyHGYWFEPJPLXIKB-XQRVVYSFSA-O
MW145.12 g/mol
LogP2.20
Rot. Bonds2

About hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium

hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium (PubChem CID 88854983) has the molecular formula C6H10O2P+ and a molecular weight of 145.12 g/mol. Its IUPAC name is hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium
PubChem CID88854983
Molecular FormulaC6H10O2P+
Molecular Weight145.12 g/mol
Exact Mass145.04
IUPAC Namehydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium
SMILESC=C(C)/C=C(/C)[P+](=O)O
InChIInChI=1S/C6H9O2P/c1-5(2)4-6(3)9(7)8/h4H,1H2,2-3H3/p+1/b6-4-
InChIKeyHGYWFEPJPLXIKB-XQRVVYSFSA-O
XLogP2.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.12
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium 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

2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
2-(2-methylprop-2-enylidene)propanedioic acid
CID 87996037
2-methyl(113C)prop-2-enal
CID 71749931
2-methylprop-2-enethial
CID 54224376
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)
CID 162297697
[(2Z)-4-methylpenta-2,4-dien-2-yl]phosphonic acid
CID 53375251
3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol
CID 142358246
dihydroxy(oxo)phosphanium;bis(prop-1-ene)
CID 87707073
dihydroxy(oxo)phosphanium;2-methylprop-1-ene;prop-2-enamide
CID 19070332
1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene
CID 154431203

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium?
The IUPAC name of hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium (CID 88854983) is hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium.
What is the SMILES notation for hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium?
The canonical SMILES for hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium is C=C(C)/C=C(/C)[P+](=O)O.
What is the InChIKey of hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium?
The InChIKey is HGYWFEPJPLXIKB-XQRVVYSFSA-O. The full InChI is InChI=1S/C6H9O2P/c1-5(2)4-6(3)9(7)8/h4H,1H2,2-3H3/p+1/b6-4-.
What are the key properties of hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium?
hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium has a molecular weight of 145.12 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2Z)-4-methylpenta-2,4-dien-2-yl]-oxophosphanium is sourced from PubChem (CID 88854983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).