1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol

C14H33O6PSi — CID 173377300

IUPAC1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol
SMILESCCOP(=O)(OCC)C(OCC(O)CC(C)(C)C)O[SiH](C)C
InChIInChI=1S/C14H33O6PSi/c1-8-18-21(16,19-9-2)13(20-22(6)7)17-11-12(15)10-14(3,4)5/h12-13,15,22H,8-11H2,1-7H3
InChIKeyHLYPGPJODATRSH-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.35
Rot. Bonds11

About 1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol

1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol (PubChem CID 173377300) has the molecular formula C14H33O6PSi and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol
PubChem CID173377300
Molecular FormulaC14H33O6PSi
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol
SMILESCCOP(=O)(OCC)C(OCC(O)CC(C)(C)C)O[SiH](C)C
InChIInChI=1S/C14H33O6PSi/c1-8-18-21(16,19-9-2)13(20-22(6)7)17-11-12(15)10-14(3,4)5/h12-13,15,22H,8-11H2,1-7H3
InChIKeyHLYPGPJODATRSH-UHFFFAOYSA-N
XLogP3.35
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
1-[[ethyl(methyl)phosphoryl]-(2-hydroxy-3-methoxypropoxy)methoxy]-3-methoxypropan-2-ol
CID 59281000
ethoxy(2,4,4-trimethylpentyl)phosphinic acid
CID 87604919
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-ol;2-(2,2-dimethylpropyl)-4,4-dimethylpentan-1-ol
CID 162148938
tert-butyl 2-amino-2-diethoxyphosphorylacetate
CID 10945397
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
(2S,3R)-3-diethoxyphosphorylpentan-2-ol
CID 166436787
O-[2-(2-diethoxyphosphorylethyl)-3-dimethylsilyloxy-4,4-dimethylpentyl]hydroxylamine
CID 173368464

Frequently Asked Questions

What is the IUPAC name of 1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol (CID 173377300) is 1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol is CCOP(=O)(OCC)C(OCC(O)CC(C)(C)C)O[SiH](C)C.
What is the InChIKey of 1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol?
The InChIKey is HLYPGPJODATRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33O6PSi/c1-8-18-21(16,19-9-2)13(20-22(6)7)17-11-12(15)10-14(3,4)5/h12-13,15,22H,8-11H2,1-7H3.
What are the key properties of 1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol?
1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol has a molecular weight of 356.47 g/mol, XLogP of 3.35, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphoryl(dimethylsilyloxy)methoxy]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 173377300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).