(2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol

C23H52O4Si2 — CID 102059206

IUPAC(2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol
SMILESCCCCC(CO)[C@H](C[C@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H52O4Si2/c1-12-13-14-19(18-25)21(27-29(10,11)23(5,6)7)17-20(15-16-24)26-28(8,9)22(2,3)4/h19-21,24-25H,12-18H2,1-11H3/t19?,20-,21-/m0/s1
InChIKeyWHXYSOSWFQNFDH-AKQSQHNNSA-N
MW448.84 g/mol
LogP6.34
Rot. Bonds13

About (2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol

(2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol (PubChem CID 102059206) has the molecular formula C23H52O4Si2 and a molecular weight of 448.84 g/mol. Its IUPAC name is (2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol.

Molecular Properties

Compound Name(2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol
PubChem CID102059206
Molecular FormulaC23H52O4Si2
Molecular Weight448.84 g/mol
Exact Mass448.34
IUPAC Name(2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol
SMILESCCCCC(CO)[C@H](C[C@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H52O4Si2/c1-12-13-14-19(18-25)21(27-29(10,11)23(5,6)7)17-20(15-16-24)26-28(8,9)22(2,3)4/h19-21,24-25H,12-18H2,1-11H3/t19?,20-,21-/m0/s1
InChIKeyWHXYSOSWFQNFDH-AKQSQHNNSA-N
XLogP6.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.84
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol 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

(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexan-1-ol
CID 146163917
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxydec-4-en-1-ol
CID 102588755
(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 11468178
tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane
CID 15315171
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxytridec-1-yn-4-ol
CID 57407601
[(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]boronic acid
CID 129405347
tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane
CID 129405343
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
CID 140734279
(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyheptan-3-amine
CID 15632282
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(8-octylsulfanyloctoxy)propan-1-ol
CID 162458935

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol?
The IUPAC name of (2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol (CID 102059206) is (2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol.
What is the SMILES notation for (2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol?
The canonical SMILES for (2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol is CCCCC(CO)[C@H](C[C@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol?
The InChIKey is WHXYSOSWFQNFDH-AKQSQHNNSA-N. The full InChI is InChI=1S/C23H52O4Si2/c1-12-13-14-19(18-25)21(27-29(10,11)23(5,6)7)17-20(15-16-24)26-28(8,9)22(2,3)4/h19-21,24-25H,12-18H2,1-11H3/t19?,20-,21-/m0/s1.
What are the key properties of (2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol?
(2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol has a molecular weight of 448.84 g/mol, XLogP of 6.34, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-2-butyl-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptane-1,7-diol is sourced from PubChem (CID 102059206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).