(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol

C13H30O2Si — CID 10060505

IUPAC(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H](C)CO
InChIInChI=1S/C13H30O2Si/c1-11(9-14)8-12(2)10-15-16(6,7)13(3,4)5/h11-12,14H,8-10H2,1-7H3/t11-,12+/m1/s1
InChIKeyWYEQYFFJMPKOBV-NEPJUHHUSA-N
MW246.47 g/mol
LogP3.66
Rot. Bonds6

About (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol

(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol (PubChem CID 10060505) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol
PubChem CID10060505
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Name(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H](C)CO
InChIInChI=1S/C13H30O2Si/c1-11(9-14)8-12(2)10-15-16(6,7)13(3,4)5/h11-12,14H,8-10H2,1-7H3/t11-,12+/m1/s1
InChIKeyWYEQYFFJMPKOBV-NEPJUHHUSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-((Tert-butyldimethylsilyl)oxy)pentan-1-ol
CID 3614318
4-[(Tert-butyldimethylsilyl)oxy]-3-methylbutan-1-ol
CID 72951988
{3-[(trimethylsilyl)methyl]cyclobutyl}methanol, Mixture of diastereomers
CID 155973625
[(1S,2S,3S)-2-fluoro-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol
CID 134947755
(2S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 10444620
5-((t-Butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 13596692
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11035844
(2S)-4-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylbutan-1-ol
CID 16050209
(cis-2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopropyl)methanol
CID 69296261
(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 91394804
(2R,4S)-5-dimethylsilyloxy-2-fluoro-2,4-dimethylpentan-1-ol
CID 173746553
Silane, diethyl(2-methylpentyloxy)propoxy-
CID 91735206

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol?
The IUPAC name of (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol (CID 10060505) is (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol.
What is the SMILES notation for (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol?
The canonical SMILES for (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol is C[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H](C)CO.
What is the InChIKey of (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol?
The InChIKey is WYEQYFFJMPKOBV-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-11(9-14)8-12(2)10-15-16(6,7)13(3,4)5/h11-12,14H,8-10H2,1-7H3/t11-,12+/m1/s1.
What are the key properties of (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol?
(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol has a molecular weight of 246.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentan-1-ol is sourced from PubChem (CID 10060505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).