(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol

C16H36O4Si — CID 15280451

IUPAC(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol
SMILESCOCO[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(C)C
InChIInChI=1S/C16H36O4Si/c1-12(2)14(17)15(19-11-18-7)13(3)10-20-21(8,9)16(4,5)6/h12-15,17H,10-11H2,1-9H3/t13-,14+,15+/m1/s1
InChIKeyFMERPPZXCLZHJI-ILXRZTDVSA-N
MW320.55 g/mol
LogP3.65
Rot. Bonds9

About (3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol

(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol (PubChem CID 15280451) has the molecular formula C16H36O4Si and a molecular weight of 320.55 g/mol. Its IUPAC name is (3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol
PubChem CID15280451
Molecular FormulaC16H36O4Si
Molecular Weight320.55 g/mol
Exact Mass320.24
IUPAC Name(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol
SMILESCOCO[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(C)C
InChIInChI=1S/C16H36O4Si/c1-12(2)14(17)15(19-11-18-7)13(3)10-20-21(8,9)16(4,5)6/h12-15,17H,10-11H2,1-9H3/t13-,14+,15+/m1/s1
InChIKeyFMERPPZXCLZHJI-ILXRZTDVSA-N
XLogP3.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol?
The IUPAC name of (3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol (CID 15280451) is (3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol.
What is the SMILES notation for (3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol?
The canonical SMILES for (3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol is COCO[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(C)C.
What is the InChIKey of (3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol?
The InChIKey is FMERPPZXCLZHJI-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H36O4Si/c1-12(2)14(17)15(19-11-18-7)13(3)10-20-21(8,9)16(4,5)6/h12-15,17H,10-11H2,1-9H3/t13-,14+,15+/m1/s1.
What are the key properties of (3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol?
(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol has a molecular weight of 320.55 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol is sourced from PubChem (CID 15280451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).