(2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol

C22H46O8Si — CID 134817641

IUPAC(2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCOCCOCCOCCO[C@@H](CO)COC1CCCCO1
InChIInChI=1S/C22H46O8Si/c1-22(2,3)31(4,5)30-17-15-26-13-11-24-10-12-25-14-16-27-20(18-23)19-29-21-8-6-7-9-28-21/h20-21,23H,6-19H2,1-5H3/t20-,21?/m0/s1
InChIKeyOFXPGYVTUDQDOG-BGERDNNASA-N
MW466.69 g/mol
LogP2.98
Rot. Bonds18

About (2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol

(2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol (PubChem CID 134817641) has the molecular formula C22H46O8Si and a molecular weight of 466.69 g/mol. Its IUPAC name is (2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol
PubChem CID134817641
Molecular FormulaC22H46O8Si
Molecular Weight466.69 g/mol
Exact Mass466.30
IUPAC Name(2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCOCCOCCOCCO[C@@H](CO)COC1CCCCO1
InChIInChI=1S/C22H46O8Si/c1-22(2,3)31(4,5)30-17-15-26-13-11-24-10-12-25-14-16-27-20(18-23)19-29-21-8-6-7-9-28-21/h20-21,23H,6-19H2,1-5H3/t20-,21?/m0/s1
InChIKeyOFXPGYVTUDQDOG-BGERDNNASA-N
XLogP2.98
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.69
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol?
The IUPAC name of (2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol (CID 134817641) is (2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol.
What is the SMILES notation for (2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol?
The canonical SMILES for (2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol is CC(C)(C)[Si](C)(C)OCCOCCOCCOCCO[C@@H](CO)COC1CCCCO1.
What is the InChIKey of (2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol?
The InChIKey is OFXPGYVTUDQDOG-BGERDNNASA-N. The full InChI is InChI=1S/C22H46O8Si/c1-22(2,3)31(4,5)30-17-15-26-13-11-24-10-12-25-14-16-27-20(18-23)19-29-21-8-6-7-9-28-21/h20-21,23H,6-19H2,1-5H3/t20-,21?/m0/s1.
What are the key properties of (2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol?
(2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol has a molecular weight of 466.69 g/mol, XLogP of 2.98, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-3-(oxan-2-yloxy)propan-1-ol is sourced from PubChem (CID 134817641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).