2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane

C11H23O5P — CID 10468402

IUPAC2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane
SMILESCCOP(=O)([13CH2][13CH2][13CH2][13C]1([13CH3])OCCO1)OCC
InChIInChI=1S/C11H23O5P/c1-4-15-17(12,16-5-2)10-6-7-11(3)13-8-9-14-11/h4-10H2,1-3H3/i3+1,6+1,7+1,10+1,11+1
InChIKeyDNUWKJBNXAAOBF-LJSYJPQZSA-N
MW271.24 g/mol
LogP2.80
Rot. Bonds8

About 2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane

2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane (PubChem CID 10468402) has the molecular formula C11H23O5P and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane.

Molecular Properties

Compound Name2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane
PubChem CID10468402
Molecular FormulaC11H23O5P
Molecular Weight271.24 g/mol
Exact Mass271.15
IUPAC Name2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane
SMILESCCOP(=O)([13CH2][13CH2][13CH2][13C]1([13CH3])OCCO1)OCC
InChIInChI=1S/C11H23O5P/c1-4-15-17(12,16-5-2)10-6-7-11(3)13-8-9-14-11/h4-10H2,1-3H3/i3+1,6+1,7+1,10+1,11+1
InChIKeyDNUWKJBNXAAOBF-LJSYJPQZSA-N
XLogP2.80
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane
CID 13109384
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 42631926
5-diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027
1-(3-diethoxyphosphorylpropyl)-1-methylpiperidin-1-ium
CID 142567074
8-diethoxyphosphoryloctan-1-ol
CID 10515886
1-azido-3-diethoxyphosphorylpropane
CID 10867835
2-(4-chlorobutyl)-2-methyl-1,3-dioxolane
CID 10965102
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390
1-(2-diethoxyphosphorylethyl)cyclohexan-1-ol
CID 155934132

Frequently Asked Questions

What is the IUPAC name of 2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane?
The IUPAC name of 2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane (CID 10468402) is 2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane.
What is the SMILES notation for 2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane?
The canonical SMILES for 2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane is CCOP(=O)([13CH2][13CH2][13CH2][13C]1([13CH3])OCCO1)OCC.
What is the InChIKey of 2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane?
The InChIKey is DNUWKJBNXAAOBF-LJSYJPQZSA-N. The full InChI is InChI=1S/C11H23O5P/c1-4-15-17(12,16-5-2)10-6-7-11(3)13-8-9-14-11/h4-10H2,1-3H3/i3+1,6+1,7+1,10+1,11+1.
What are the key properties of 2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane?
2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane has a molecular weight of 271.24 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 2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane is sourced from PubChem (CID 10468402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).