1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane

C10H23O4P — CID 14693348

IUPAC1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane
SMILESCOC(CCP(C)(=O)OCC(C)C)OC
InChIInChI=1S/C10H23O4P/c1-9(2)8-14-15(5,11)7-6-10(12-3)13-4/h9-10H,6-8H2,1-5H3
InChIKeyOPSAKDZLGRPYCX-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.58
Rot. Bonds8

About 1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane

1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane (PubChem CID 14693348) has the molecular formula C10H23O4P and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane.

Molecular Properties

Compound Name1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane
PubChem CID14693348
Molecular FormulaC10H23O4P
Molecular Weight238.26 g/mol
Exact Mass238.13
IUPAC Name1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane
SMILESCOC(CCP(C)(=O)OCC(C)C)OC
InChIInChI=1S/C10H23O4P/c1-9(2)8-14-15(5,11)7-6-10(12-3)13-4/h9-10H,6-8H2,1-5H3
InChIKeyOPSAKDZLGRPYCX-UHFFFAOYSA-N
XLogP2.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate
CID 11862228
3-diethoxyphosphoryl-1,1-dimethoxypropane;hydrate
CID 18686709
1-[2-methoxyethoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 170850888
2-methylpropyl phosphate
CID 22629809
2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
CID 86168978
1-[bis(2-methylpropoxy)phosphorylsulfanyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
CID 134977347
1-[3,3-diethoxypropyl(methyl)phosphoryl]oxybutane
CID 14693344
1-[3,3-diethoxypropyl(methyl)phosphoryl]oxypentane
CID 14693345
chloro methyl 2-methylpropyl phosphate
CID 118608255
methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane
CID 158113780
2-methylpropyl dipropan-2-yl phosphate
CID 10728615
4-[ethoxy(methyl)phosphoryl]-2-methylbutanenitrile
CID 118336707

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane?
The IUPAC name of 1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane (CID 14693348) is 1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane.
What is the SMILES notation for 1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane?
The canonical SMILES for 1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane is COC(CCP(C)(=O)OCC(C)C)OC.
What is the InChIKey of 1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane?
The InChIKey is OPSAKDZLGRPYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O4P/c1-9(2)8-14-15(5,11)7-6-10(12-3)13-4/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane?
1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane has a molecular weight of 238.26 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethoxypropyl(methyl)phosphoryl]oxy-2-methylpropane is sourced from PubChem (CID 14693348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).