(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol

C10H24O2Si — CID 86606837

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
SMILESCC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H24O2Si/c1-7-9(11)8-12-13(5,6)10(2,3)4/h9,11H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyKVNIKZRSBOVDHP-VIFPVBQESA-N
MW204.39 g/mol
LogP2.78
Rot. Bonds4

About (2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol

(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol (PubChem CID 86606837) has the molecular formula C10H24O2Si and a molecular weight of 204.39 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
PubChem CID86606837
Molecular FormulaC10H24O2Si
Molecular Weight204.39 g/mol
Exact Mass204.15
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
SMILESCC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H24O2Si/c1-7-9(11)8-12-13(5,6)10(2,3)4/h9,11H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyKVNIKZRSBOVDHP-VIFPVBQESA-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'}

Analyze (2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
(Z,2S,6R)-1-[tert-butyl(dimethyl)silyl]oxyoct-3-ene-2,6-diol
CID 10707504
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
CID 71386840
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol (CID 86606837) is (2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol is CC[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol?
The InChIKey is KVNIKZRSBOVDHP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H24O2Si/c1-7-9(11)8-12-13(5,6)10(2,3)4/h9,11H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol?
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-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 (2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol is sourced from PubChem (CID 86606837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).