propan-2-yl bis(prop-2-ynoxy)phosphorylformate

C10H13O5P — CID 122645299

IUPACpropan-2-yl bis(prop-2-ynoxy)phosphorylformate
SMILESC#CCOP(=O)(OCC#C)C(=O)OC(C)C
InChIInChI=1S/C10H13O5P/c1-5-7-13-16(12,14-8-6-2)10(11)15-9(3)4/h1-2,9H,7-8H2,3-4H3
InChIKeyLKRFOPSVJDOFSW-UHFFFAOYSA-N
MW244.18 g/mol
LogP2.02
Rot. Bonds6

About propan-2-yl bis(prop-2-ynoxy)phosphorylformate

propan-2-yl bis(prop-2-ynoxy)phosphorylformate (PubChem CID 122645299) has the molecular formula C10H13O5P and a molecular weight of 244.18 g/mol. Its IUPAC name is propan-2-yl bis(prop-2-ynoxy)phosphorylformate.

Molecular Properties

Compound Namepropan-2-yl bis(prop-2-ynoxy)phosphorylformate
PubChem CID122645299
Molecular FormulaC10H13O5P
Molecular Weight244.18 g/mol
Exact Mass244.05
IUPAC Namepropan-2-yl bis(prop-2-ynoxy)phosphorylformate
SMILESC#CCOP(=O)(OCC#C)C(=O)OC(C)C
InChIInChI=1S/C10H13O5P/c1-5-7-13-16(12,14-8-6-2)10(11)15-9(3)4/h1-2,9H,7-8H2,3-4H3
InChIKeyLKRFOPSVJDOFSW-UHFFFAOYSA-N
XLogP2.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of propan-2-yl bis(prop-2-ynoxy)phosphorylformate?
The IUPAC name of propan-2-yl bis(prop-2-ynoxy)phosphorylformate (CID 122645299) is propan-2-yl bis(prop-2-ynoxy)phosphorylformate.
What is the SMILES notation for propan-2-yl bis(prop-2-ynoxy)phosphorylformate?
The canonical SMILES for propan-2-yl bis(prop-2-ynoxy)phosphorylformate is C#CCOP(=O)(OCC#C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl bis(prop-2-ynoxy)phosphorylformate?
The InChIKey is LKRFOPSVJDOFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O5P/c1-5-7-13-16(12,14-8-6-2)10(11)15-9(3)4/h1-2,9H,7-8H2,3-4H3.
What are the key properties of propan-2-yl bis(prop-2-ynoxy)phosphorylformate?
propan-2-yl bis(prop-2-ynoxy)phosphorylformate has a molecular weight of 244.18 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl bis(prop-2-ynoxy)phosphorylformate is sourced from PubChem (CID 122645299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).