(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol

C18H42O3Si2 — CID 11111243

IUPAC(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H42O3Si2/c1-15(14-20-22(8,9)17(2,3)4)16(12-13-19)21-23(10,11)18(5,6)7/h15-16,19H,12-14H2,1-11H3/t15-,16+/m1/s1
InChIKeyMWTJHRSUWJURCQ-CVEARBPZSA-N
MW362.70 g/mol
LogP5.42
Rot. Bonds8

About (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol

(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol (PubChem CID 11111243) has the molecular formula C18H42O3Si2 and a molecular weight of 362.70 g/mol. Its IUPAC name is (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol.

Molecular Properties

Compound Name(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol
PubChem CID11111243
Molecular FormulaC18H42O3Si2
Molecular Weight362.70 g/mol
Exact Mass362.27
IUPAC Name(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol
SMILESC[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H42O3Si2/c1-15(14-20-22(8,9)17(2,3)4)16(12-13-19)21-23(10,11)18(5,6)7/h15-16,19H,12-14H2,1-11H3/t15-,16+/m1/s1
InChIKeyMWTJHRSUWJURCQ-CVEARBPZSA-N
XLogP5.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.70
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-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

3-(tert-Butyldimethylsilanyloxy)pentane-1,5-diol
CID 10868252
(2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol
CID 134943548
(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,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 91394804
(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol
CID 135034831
(2S,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10870068
3-[Ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol
CID 10884632
(2R,4S)-4-[ditert-butyl(fluoro)silyl]oxy-5-methylhexan-2-ol
CID 10968334
(2S,4R)-2,4-Dimethyl-5-(triisopropylsilyloxy)pentan-1-ol
CID 9543584
(2R,4S)-5-((tert-Butyldimethylsilyl)oxy)-2,4-dimethylpentan-1-ol
CID 10060505

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol?
The IUPAC name of (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol (CID 11111243) is (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol.
What is the SMILES notation for (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol?
The canonical SMILES for (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol is C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol?
The InChIKey is MWTJHRSUWJURCQ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H42O3Si2/c1-15(14-20-22(8,9)17(2,3)4)16(12-13-19)21-23(10,11)18(5,6)7/h15-16,19H,12-14H2,1-11H3/t15-,16+/m1/s1.
What are the key properties of (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol?
(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol has a molecular weight of 362.70 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol is sourced from PubChem (CID 11111243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).