2-methyl-2-phosphorosooxy-1,3-dioxolane

C4H7O4P — CID 159803030

IUPAC2-methyl-2-phosphorosooxy-1,3-dioxolane
SMILESCC1(OP=O)OCCO1
InChIInChI=1S/C4H7O4P/c1-4(8-9-5)6-2-3-7-4/h2-3H2,1H3
InChIKeyNKAQCMWZMZJOSG-UHFFFAOYSA-N
MW150.07 g/mol
LogP0.93
Rot. Bonds2

About 2-methyl-2-phosphorosooxy-1,3-dioxolane

2-methyl-2-phosphorosooxy-1,3-dioxolane (PubChem CID 159803030) has the molecular formula C4H7O4P and a molecular weight of 150.07 g/mol. Its IUPAC name is 2-methyl-2-phosphorosooxy-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-phosphorosooxy-1,3-dioxolane
PubChem CID159803030
Molecular FormulaC4H7O4P
Molecular Weight150.07 g/mol
Exact Mass150.01
IUPAC Name2-methyl-2-phosphorosooxy-1,3-dioxolane
SMILESCC1(OP=O)OCCO1
InChIInChI=1S/C4H7O4P/c1-4(8-9-5)6-2-3-7-4/h2-3H2,1H3
InChIKeyNKAQCMWZMZJOSG-UHFFFAOYSA-N
XLogP0.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phosphorosooxy-1,3-dioxolane?
The IUPAC name of 2-methyl-2-phosphorosooxy-1,3-dioxolane (CID 159803030) is 2-methyl-2-phosphorosooxy-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-phosphorosooxy-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-phosphorosooxy-1,3-dioxolane is CC1(OP=O)OCCO1.
What is the InChIKey of 2-methyl-2-phosphorosooxy-1,3-dioxolane?
The InChIKey is NKAQCMWZMZJOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O4P/c1-4(8-9-5)6-2-3-7-4/h2-3H2,1H3.
What are the key properties of 2-methyl-2-phosphorosooxy-1,3-dioxolane?
2-methyl-2-phosphorosooxy-1,3-dioxolane has a molecular weight of 150.07 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phosphorosooxy-1,3-dioxolane is sourced from PubChem (CID 159803030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).