1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol

C15H35O5PSi — CID 57166590

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol
SMILESCCCP(=O)(OCC)OCCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H35O5PSi/c1-8-12-21(17,18-9-2)19-11-10-14(16)13-20-22(6,7)15(3,4)5/h14,16H,8-13H2,1-7H3
InChIKeyJSGBZPAXZWWJFA-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.42
Rot. Bonds11

About 1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol (PubChem CID 57166590) has the molecular formula C15H35O5PSi and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol
PubChem CID57166590
Molecular FormulaC15H35O5PSi
Molecular Weight354.50 g/mol
Exact Mass354.20
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol
SMILESCCCP(=O)(OCC)OCCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H35O5PSi/c1-8-12-21(17,18-9-2)19-11-10-14(16)13-20-22(6,7)15(3,4)5/h14,16H,8-13H2,1-7H3
InChIKeyJSGBZPAXZWWJFA-UHFFFAOYSA-N
XLogP4.42
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
CID 71386840
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate
CID 158562183
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-nitrohexan-3-ol
CID 11514635
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334
tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane
CID 42600508
ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate
CID 11580515

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol (CID 57166590) is 1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol is CCCP(=O)(OCC)OCCC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol?
The InChIKey is JSGBZPAXZWWJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35O5PSi/c1-8-12-21(17,18-9-2)19-11-10-14(16)13-20-22(6,7)15(3,4)5/h14,16H,8-13H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol has a molecular weight of 354.50 g/mol, XLogP of 4.42, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-4-[ethoxy(propyl)phosphoryl]oxybutan-2-ol is sourced from PubChem (CID 57166590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).