2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol

C16H37O5PSi — CID 10761554

IUPAC2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol
SMILESCCCCCC(C(O)OCC)([Si](C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C16H37O5PSi/c1-8-12-13-14-16(23(5,6)7,15(17)19-9-2)22(18,20-10-3)21-11-4/h15,17H,8-14H2,1-7H3
InChIKeyHLEKDIOLLDRIIM-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.80
Rot. Bonds13

About 2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol

2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol (PubChem CID 10761554) has the molecular formula C16H37O5PSi and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol
PubChem CID10761554
Molecular FormulaC16H37O5PSi
Molecular Weight368.53 g/mol
Exact Mass368.21
IUPAC Name2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol
SMILESCCCCCC(C(O)OCC)([Si](C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C16H37O5PSi/c1-8-12-13-14-16(23(5,6)7,15(17)19-9-2)22(18,20-10-3)21-11-4/h15,17H,8-14H2,1-7H3
InChIKeyHLEKDIOLLDRIIM-UHFFFAOYSA-N
XLogP4.80
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane
CID 101056874
(1-diethoxyphosphoryl-1-iodohexyl)-trimethylsilane
CID 101056877
1-diethoxyphosphoryl-1,1-difluorohexane
CID 10445215
1,1-dichloro-1-diethoxyphosphorylheptan-2-ol
CID 23128735
1-diethoxyphosphoryl-1-phenyldodecan-1-ol
CID 135062703
(2-amino-1-hydroxy-2-pentylheptyl)phosphonic acid
CID 87134430
1-diethoxyphosphoryl-1,1-difluoro-2-methylundecane
CID 15272233
(1-diethoxyphosphoryl-1-fluoro-4-methylpentyl)-trimethylsilane
CID 10686582
2-[2-(dihydroxymethyl)-1,1-dihydroxyheptan-2-yl]oxy-2-pentylpropane-1,1,3,3-tetrol
CID 175287785
tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium
CID 71317741
3,3-bis(diethoxyphosphoryl)-3-hexoxypropanal
CID 102406501
1-diethoxyphosphoryldodecan-2-ol
CID 10448817

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol?
The IUPAC name of 2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol (CID 10761554) is 2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol.
What is the SMILES notation for 2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol?
The canonical SMILES for 2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol is CCCCCC(C(O)OCC)([Si](C)(C)C)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol?
The InChIKey is HLEKDIOLLDRIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37O5PSi/c1-8-12-13-14-16(23(5,6)7,15(17)19-9-2)22(18,20-10-3)21-11-4/h15,17H,8-14H2,1-7H3.
What are the key properties of 2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol?
2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol has a molecular weight of 368.53 g/mol, XLogP of 4.80, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-ethoxy-2-trimethylsilylheptan-1-ol is sourced from PubChem (CID 10761554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).