hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane

C5H9O3P — CID 147005175

IUPAChydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane
SMILESC#CCOP(=C)(O)OC
InChIInChI=1S/C5H9O3P/c1-4-5-8-9(3,6)7-2/h1,6H,3,5H2,2H3
InChIKeyHJAQPESIEFKSIB-UHFFFAOYSA-N
MW148.10 g/mol
LogP0.47
Rot. Bonds3

About hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane

hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane (PubChem CID 147005175) has the molecular formula C5H9O3P and a molecular weight of 148.10 g/mol. Its IUPAC name is hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane
PubChem CID147005175
Molecular FormulaC5H9O3P
Molecular Weight148.10 g/mol
Exact Mass148.03
IUPAC Namehydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane
SMILESC#CCOP(=C)(O)OC
InChIInChI=1S/C5H9O3P/c1-4-5-8-9(3,6)7-2/h1,6H,3,5H2,2H3
InChIKeyHJAQPESIEFKSIB-UHFFFAOYSA-N
XLogP0.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl-bis(prop-2-ynoxy)-sulfanylidene-lambda5-phosphane
CID 13201882
2-prop-2-ynoxyprop-1-ene
CID 15853200
dihydroxy-methoxy-methylidene-λ5-phosphane;hydroxy-dimethoxy-methylidene-λ5-phosphane;trimethoxy(methylidene)-λ5-phosphane;tris(yttrium)
CID 158139645
ethyl prop-2-ynyl hydrogen phosphate;hydrochloride
CID 88748912
1-bis(prop-2-ynoxy)phosphoryl-N-dimethoxyphosphorylformamide
CID 170085387
3-(111C)methoxyprop-1-yne
CID 58004452
2-fluoropropan-2-yl dihydrogen phosphate;phosphoric acid;bis(prop-2-ynyl dihydrogen phosphate)
CID 174176284
bis(prop-2-ynyl) 2-[methoxy(methyl)phosphoryl]oxypropanedioate
CID 88550539
propyl bis(prop-2-ynyl) phosphate
CID 23470663
tert-butyl bis(prop-2-ynyl) phosphate
CID 134297129
propan-2-yl bis(prop-2-ynyl) phosphate
CID 23470653
N-[diethylamino(prop-2-ynoxy)phosphoryl]-N-ethylethanamine
CID 71444753

Frequently Asked Questions

What is the IUPAC name of hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane?
The IUPAC name of hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane (CID 147005175) is hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane.
What is the SMILES notation for hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane?
The canonical SMILES for hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane is C#CCOP(=C)(O)OC.
What is the InChIKey of hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane?
The InChIKey is HJAQPESIEFKSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O3P/c1-4-5-8-9(3,6)7-2/h1,6H,3,5H2,2H3.
What are the key properties of hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane?
hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane has a molecular weight of 148.10 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-methylidene-prop-2-ynoxy-λ5-phosphane is sourced from PubChem (CID 147005175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).