(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol

C10H24O2Si — CID 11052750

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
SMILESC[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H24O2Si/c1-9(7-8-11)12-13(5,6)10(2,3)4/h9,11H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyPIWCWAVOQLFTBN-SECBINFHSA-N
MW204.39 g/mol
LogP2.78
Rot. Bonds4

About (3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol

(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol (PubChem CID 11052750) has the molecular formula C10H24O2Si and a molecular weight of 204.39 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
PubChem CID11052750
Molecular FormulaC10H24O2Si
Molecular Weight204.39 g/mol
Exact Mass204.15
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
SMILESC[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H24O2Si/c1-9(7-8-11)12-13(5,6)10(2,3)4/h9,11H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyPIWCWAVOQLFTBN-SECBINFHSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol (CID 11052750) is (3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol is C[C@H](CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol?
The InChIKey is PIWCWAVOQLFTBN-SECBINFHSA-N. The full InChI is InChI=1S/C10H24O2Si/c1-9(7-8-11)12-13(5,6)10(2,3)4/h9,11H,7-8H2,1-6H3/t9-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol?
(3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol has a molecular weight of 204.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol is sourced from PubChem (CID 11052750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).