prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate

C20H24O10P2 — CID 161293665

IUPACprop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate
SMILESC#CCOC(=O)P(=O)(OCC#C)OCC=C.C#CCOP(=O)(OCC=C)C(=O)OCC=C
InChIInChI=1S/C10H13O5P.C10H11O5P/c2*1-4-7-13-10(11)16(12,14-8-5-2)15-9-6-3/h2,4,6H,1,3,7-9H2;1-2,6H,3,7-9H2
InChIKeyVGRPHNGKZYFCME-UHFFFAOYSA-N
MW486.35 g/mol
LogP4.16
Rot. Bonds15

About prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate

prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate (PubChem CID 161293665) has the molecular formula C20H24O10P2 and a molecular weight of 486.35 g/mol. Its IUPAC name is prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate.

Molecular Properties

Compound Nameprop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate
PubChem CID161293665
Molecular FormulaC20H24O10P2
Molecular Weight486.35 g/mol
Exact Mass486.08
IUPAC Nameprop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate
SMILESC#CCOC(=O)P(=O)(OCC#C)OCC=C.C#CCOP(=O)(OCC=C)C(=O)OCC=C
InChIInChI=1S/C10H13O5P.C10H11O5P/c2*1-4-7-13-10(11)16(12,14-8-5-2)15-9-6-3/h2,4,6H,1,3,7-9H2;1-2,6H,3,7-9H2
InChIKeyVGRPHNGKZYFCME-UHFFFAOYSA-N
XLogP4.16
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

prop-2-ynyl dipropoxyphosphorylformate
CID 140749152
1-bis(prop-2-enoxy)phosphorylprop-2-en-1-one
CID 141060498
5-O-prop-2-enyl 4-O-prop-2-ynyl 1,3-dioxolane-4,5-dicarboxylate
CID 138700691
2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid
CID 19024375
1-bis(prop-2-ynoxy)phosphoryl-N-difluorophosphorylformamide
CID 170085386
1-bis(prop-2-ynoxy)phosphoryl-N-dimethoxyphosphorylformamide
CID 170085387
disodium;prop-2-enyl phosphate
CID 87157623
propan-2-yl bis(prop-2-ynyl) phosphate
CID 23470653
[(E)-but-2-enyl] diethoxyphosphorylformate
CID 122649345
but-3-yn-2-yl prop-2-enyl carbonate
CID 100927907
2-methylbut-3-yn-2-yl prop-2-enyl carbonate
CID 23169803
methane;prop-2-enyl dihydrogen phosphate
CID 87755414

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate?
The IUPAC name of prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate (CID 161293665) is prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate.
What is the SMILES notation for prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate?
The canonical SMILES for prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate is C#CCOC(=O)P(=O)(OCC#C)OCC=C.C#CCOP(=O)(OCC=C)C(=O)OCC=C.
What is the InChIKey of prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate?
The InChIKey is VGRPHNGKZYFCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O5P.C10H11O5P/c2*1-4-7-13-10(11)16(12,14-8-5-2)15-9-6-3/h2,4,6H,1,3,7-9H2;1-2,6H,3,7-9H2.
What are the key properties of prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate?
prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate has a molecular weight of 486.35 g/mol, XLogP of 4.16, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate is sourced from PubChem (CID 161293665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).