3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol

C19H26O2Si — CID 10245134

IUPAC3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
SMILESCC(C)(C)[Si](OCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26O2Si/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,20H,10,15-16H2,1-3H3
InChIKeyNZAGJZSHKTYYMN-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.95
Rot. Bonds6

About 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol

3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol (PubChem CID 10245134) has the molecular formula C19H26O2Si and a molecular weight of 314.50 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
PubChem CID10245134
Molecular FormulaC19H26O2Si
Molecular Weight314.50 g/mol
Exact Mass314.17
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
SMILESCC(C)(C)[Si](OCCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26O2Si/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,20H,10,15-16H2,1-3H3
InChIKeyNZAGJZSHKTYYMN-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol (CID 10245134) is 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol is CC(C)(C)[Si](OCCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol?
The InChIKey is NZAGJZSHKTYYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2Si/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,20H,10,15-16H2,1-3H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol?
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol has a molecular weight of 314.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol is sourced from PubChem (CID 10245134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).