prop-2-ynyl dipropoxyphosphorylformate

C10H17O5P — CID 140749152

IUPACprop-2-ynyl dipropoxyphosphorylformate
SMILESC#CCOC(=O)P(=O)(OCCC)OCCC
InChIInChI=1S/C10H17O5P/c1-4-7-13-10(11)16(12,14-8-5-2)15-9-6-3/h1H,5-9H2,2-3H3
InChIKeyZLYPPYTXFCDSMJ-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.80
Rot. Bonds8

About prop-2-ynyl dipropoxyphosphorylformate

prop-2-ynyl dipropoxyphosphorylformate (PubChem CID 140749152) has the molecular formula C10H17O5P and a molecular weight of 248.21 g/mol. Its IUPAC name is prop-2-ynyl dipropoxyphosphorylformate.

Molecular Properties

Compound Nameprop-2-ynyl dipropoxyphosphorylformate
PubChem CID140749152
Molecular FormulaC10H17O5P
Molecular Weight248.21 g/mol
Exact Mass248.08
IUPAC Nameprop-2-ynyl dipropoxyphosphorylformate
SMILESC#CCOC(=O)P(=O)(OCCC)OCCC
InChIInChI=1S/C10H17O5P/c1-4-7-13-10(11)16(12,14-8-5-2)15-9-6-3/h1H,5-9H2,2-3H3
InChIKeyZLYPPYTXFCDSMJ-UHFFFAOYSA-N
XLogP2.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate
CID 161293665
propyl bis(prop-2-ynyl) phosphate
CID 23470663
1-O-propyl 4-O-prop-2-ynyl butanedioate
CID 88550128
butyl [butoxy(ethoxy)phosphoryl]formate
CID 91568211
hexyl prop-2-ynyl carbonate
CID 22074798
1-dipropoxyphosphoryl-2,2-dimethylpropan-1-one
CID 71386041
ethyl bis(3-octadecylsulfanylpropoxy)phosphorylformate
CID 166909333
azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate
CID 173456268
propyl dihydrogen phosphate;urea
CID 88818408
prop-2-ynyl 2-(2-dimethylphosphorylethoxy)acetate
CID 152629296
1-O-nonyl 4-O-prop-2-ynyl (E)-but-2-enedioate
CID 91701223
1-O-hexadecyl 4-O-prop-2-ynyl (E)-but-2-enedioate
CID 91698197

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl dipropoxyphosphorylformate?
The IUPAC name of prop-2-ynyl dipropoxyphosphorylformate (CID 140749152) is prop-2-ynyl dipropoxyphosphorylformate.
What is the SMILES notation for prop-2-ynyl dipropoxyphosphorylformate?
The canonical SMILES for prop-2-ynyl dipropoxyphosphorylformate is C#CCOC(=O)P(=O)(OCCC)OCCC.
What is the InChIKey of prop-2-ynyl dipropoxyphosphorylformate?
The InChIKey is ZLYPPYTXFCDSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O5P/c1-4-7-13-10(11)16(12,14-8-5-2)15-9-6-3/h1H,5-9H2,2-3H3.
What are the key properties of prop-2-ynyl dipropoxyphosphorylformate?
prop-2-ynyl dipropoxyphosphorylformate has a molecular weight of 248.21 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl dipropoxyphosphorylformate is sourced from PubChem (CID 140749152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).