(4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol

C30H65O5PSi — CID 51354936

IUPAC(4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol
SMILESCCCCCCCCCCCCCCC[C@@H](CC(O)CP(=O)(OC)OC)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C30H65O5PSi/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-30(27-29(31)28-36(32,33-5)34-6)35-37(24-8-2,25-9-3)26-10-4/h29-31H,7-28H2,1-6H3/t29?,30-/m0/s1
InChIKeyFBCOUCZCPDXLFC-ZSXSBBPPSA-N
MW564.91 g/mol
LogP10.27
Rot. Bonds28

About (4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol

(4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol (PubChem CID 51354936) has the molecular formula C30H65O5PSi and a molecular weight of 564.91 g/mol. Its IUPAC name is (4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol.

Molecular Properties

Compound Name(4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol
PubChem CID51354936
Molecular FormulaC30H65O5PSi
Molecular Weight564.91 g/mol
Exact Mass564.43
IUPAC Name(4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol
SMILESCCCCCCCCCCCCCCC[C@@H](CC(O)CP(=O)(OC)OC)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C30H65O5PSi/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-30(27-29(31)28-36(32,33-5)34-6)35-37(24-8-2,25-9-3)26-10-4/h29-31H,7-28H2,1-6H3/t29?,30-/m0/s1
InChIKeyFBCOUCZCPDXLFC-ZSXSBBPPSA-N
XLogP10.27
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.91
LogP ≤ 510.27
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-dimethoxyphosphoryltridecan-2-ol
CID 15584231
1-dimethoxyphosphoryltridecan-3-ol
CID 10425403
1-diethoxyphosphoryldodecan-2-ol
CID 10448817
4-(1,2-dihydroxyhenicosan-4-yloxy)henicosane-1,2-diol
CID 20975334
triheptatriacontan-19-yl phosphate
CID 87670645
(2S)-1-dimethoxyphosphinothioylheptan-2-ol
CID 102002885
2-hydroxydodecyl dimethyl phosphate
CID 10018272
3-dimethoxyphosphorylpropane-1,2-diol
CID 129239844
pentadecan-6-yl dihydrogen phosphate
CID 22719349
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
(2R,4R)-1,4-dimethoxynonan-2-ol
CID 23238601
1-dimethoxyphosphoryl-3-fluorononan-2-one
CID 15003083

Frequently Asked Questions

What is the IUPAC name of (4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol?
The IUPAC name of (4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol (CID 51354936) is (4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol.
What is the SMILES notation for (4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol?
The canonical SMILES for (4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol is CCCCCCCCCCCCCCC[C@@H](CC(O)CP(=O)(OC)OC)O[Si](CCC)(CCC)CCC.
What is the InChIKey of (4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol?
The InChIKey is FBCOUCZCPDXLFC-ZSXSBBPPSA-N. The full InChI is InChI=1S/C30H65O5PSi/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-30(27-29(31)28-36(32,33-5)34-6)35-37(24-8-2,25-9-3)26-10-4/h29-31H,7-28H2,1-6H3/t29?,30-/m0/s1.
What are the key properties of (4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol?
(4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol has a molecular weight of 564.91 g/mol, XLogP of 10.27, 28 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol is sourced from PubChem (CID 51354936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).