(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol

C18H38O4Si — CID 134866190

IUPAC(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol
SMILESC[C@H](C[C@H](C)[C@H](O)CO[Si](C)(C)C(C)(C)C)C1COC(C)(C)O1
InChIInChI=1S/C18H38O4Si/c1-13(10-14(2)16-12-20-18(6,7)22-16)15(19)11-21-23(8,9)17(3,4)5/h13-16,19H,10-12H2,1-9H3/t13-,14+,15+,16?/m0/s1
InChIKeySDIQASOYJWGYLI-BZZKYOCZSA-N
MW346.58 g/mol
LogP4.18
Rot. Bonds7

About (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol

(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol (PubChem CID 134866190) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol.

Molecular Properties

Compound Name(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol
PubChem CID134866190
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol
SMILESC[C@H](C[C@H](C)[C@H](O)CO[Si](C)(C)C(C)(C)C)C1COC(C)(C)O1
InChIInChI=1S/C18H38O4Si/c1-13(10-14(2)16-12-20-18(6,7)22-16)15(19)11-21-23(8,9)17(3,4)5/h13-16,19H,10-12H2,1-9H3/t13-,14+,15+,16?/m0/s1
InChIKeySDIQASOYJWGYLI-BZZKYOCZSA-N
XLogP4.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol?
The IUPAC name of (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol (CID 134866190) is (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol.
What is the SMILES notation for (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol?
The canonical SMILES for (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol is C[C@H](C[C@H](C)[C@H](O)CO[Si](C)(C)C(C)(C)C)C1COC(C)(C)O1.
What is the InChIKey of (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol?
The InChIKey is SDIQASOYJWGYLI-BZZKYOCZSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-13(10-14(2)16-12-20-18(6,7)22-16)15(19)11-21-23(8,9)17(3,4)5/h13-16,19H,10-12H2,1-9H3/t13-,14+,15+,16?/m0/s1.
What are the key properties of (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol?
(2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol has a molecular weight of 346.58 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methylhexan-2-ol is sourced from PubChem (CID 134866190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).