3-[methoxy(methyl)phosphoryl]oxyprop-1-ene

C5H11O3P — CID 15026949

IUPAC3-[methoxy(methyl)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(C)(=O)OC
InChIInChI=1S/C5H11O3P/c1-4-5-8-9(3,6)7-2/h4H,1,5H2,2-3H3
InChIKeyKITYMUOZYNUSEX-UHFFFAOYSA-N
MW150.11 g/mol
LogP1.66
Rot. Bonds4

About 3-[methoxy(methyl)phosphoryl]oxyprop-1-ene

3-[methoxy(methyl)phosphoryl]oxyprop-1-ene (PubChem CID 15026949) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is 3-[methoxy(methyl)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name3-[methoxy(methyl)phosphoryl]oxyprop-1-ene
PubChem CID15026949
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name3-[methoxy(methyl)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(C)(=O)OC
InChIInChI=1S/C5H11O3P/c1-4-5-8-9(3,6)7-2/h4H,1,5H2,2-3H3
InChIKeyKITYMUOZYNUSEX-UHFFFAOYSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triallyl phosphate
CID 15390
(2E)-2-Buten-1-yl P-methylphosphonofluoridate
CID 6438716
Phosphinic acid, diallyl-, ethyl ester
CID 120374
Diethyl allylphosphonate
CID 573014
Diallyl hydrogen phosphate
CID 545426
Phosphonic acid, propyl-, diallyl ester
CID 3056462
Diethyl isopropenylphosphonate
CID 88390
Dimethyl allylphosphonate
CID 136570
Diethyl 2-propen-1-yl phosphate
CID 229774
((E)-Propenyl)-phosphonic acid dimethyl ester
CID 12530538
Diallyl chlorophosphate
CID 4187658
Diallyl hydrogen phosphite
CID 6327420

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)phosphoryl]oxyprop-1-ene?
The IUPAC name of 3-[methoxy(methyl)phosphoryl]oxyprop-1-ene (CID 15026949) is 3-[methoxy(methyl)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 3-[methoxy(methyl)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 3-[methoxy(methyl)phosphoryl]oxyprop-1-ene is C=CCOP(C)(=O)OC.
What is the InChIKey of 3-[methoxy(methyl)phosphoryl]oxyprop-1-ene?
The InChIKey is KITYMUOZYNUSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-4-5-8-9(3,6)7-2/h4H,1,5H2,2-3H3.
What are the key properties of 3-[methoxy(methyl)phosphoryl]oxyprop-1-ene?
3-[methoxy(methyl)phosphoryl]oxyprop-1-ene has a molecular weight of 150.11 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 15026949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).