[(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde

C6H9O3P — CID 155444857

IUPAC[(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde
SMILESC=C(O)/C=C(\OC)PC=O
InChIInChI=1S/C6H9O3P/c1-5(8)3-6(9-2)10-4-7/h3-4,8,10H,1H2,2H3/b6-3+
InChIKeyFKPBWUMCBDKOLD-ZZXKWVIFSA-N
MW160.11 g/mol
LogP1.41
Rot. Bonds4

About [(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde

[(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde (PubChem CID 155444857) has the molecular formula C6H9O3P and a molecular weight of 160.11 g/mol. Its IUPAC name is [(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde.

Molecular Properties

Compound Name[(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde
PubChem CID155444857
Molecular FormulaC6H9O3P
Molecular Weight160.11 g/mol
Exact Mass160.03
IUPAC Name[(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde
SMILESC=C(O)/C=C(\OC)PC=O
InChIInChI=1S/C6H9O3P/c1-5(8)3-6(9-2)10-4-7/h3-4,8,10H,1H2,2H3/b6-3+
InChIKeyFKPBWUMCBDKOLD-ZZXKWVIFSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.11
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-penta-1,3-diene-2,4-diol
CID 21340298
(3E)-5-hydroxy-4-methoxy-2-methylidenehexa-3,5-dienal
CID 142588192
(2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
CID 1268111
methyl 4-formyl-2-methylpenta-2,4-dienoate
CID 123410073
4-methoxy-2-methylpenta-2,4-dienal
CID 123705990
(3E)-5-bromo-3-methoxyhexa-1,3,5-trien-2-ol
CID 171072212
(3E,5E)-5-hydroxy-4-methoxy-7-methylocta-3,5,7-trienal
CID 88612999
(1E)-1-methoxy-3-methylbuta-1,3-dien-1-ol
CID 134856405
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
acetaldehyde;methyl acetate;2-methylprop-2-enal
CID 174926780
(E,2E)-3-methoxy-2-[(methylideneamino)methylidene]pent-3-enal
CID 176567543

Frequently Asked Questions

What is the IUPAC name of [(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde?
The IUPAC name of [(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde (CID 155444857) is [(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde.
What is the SMILES notation for [(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde?
The canonical SMILES for [(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde is C=C(O)/C=C(\OC)PC=O.
What is the InChIKey of [(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde?
The InChIKey is FKPBWUMCBDKOLD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H9O3P/c1-5(8)3-6(9-2)10-4-7/h3-4,8,10H,1H2,2H3/b6-3+.
What are the key properties of [(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde?
[(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde has a molecular weight of 160.11 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-3-hydroxy-1-methoxybuta-1,3-dienyl]phosphanylformaldehyde is sourced from PubChem (CID 155444857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).