(3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol

C15H32O3Si — CID 56590593

IUPAC(3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol
SMILESC=C(C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-10(2)13(16)11(3)14(17)12(4)18-19(8,9)15(5,6)7/h11-14,16-17H,1H2,2-9H3/t11-,12+,13+,14+/m0/s1
InChIKeyDNQAFDQIMMMBGW-REWJHTLYSA-N
MW288.50 g/mol
LogP3.33
Rot. Bonds6

About (3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol

(3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol (PubChem CID 56590593) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is (3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol.

Molecular Properties

Compound Name(3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol
PubChem CID56590593
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name(3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol
SMILESC=C(C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-10(2)13(16)11(3)14(17)12(4)18-19(8,9)15(5,6)7/h11-14,16-17H,1H2,2-9H3/t11-,12+,13+,14+/m0/s1
InChIKeyDNQAFDQIMMMBGW-REWJHTLYSA-N
XLogP3.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol?
The IUPAC name of (3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol (CID 56590593) is (3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol.
What is the SMILES notation for (3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol?
The canonical SMILES for (3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol is C=C(C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol?
The InChIKey is DNQAFDQIMMMBGW-REWJHTLYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-10(2)13(16)11(3)14(17)12(4)18-19(8,9)15(5,6)7/h11-14,16-17H,1H2,2-9H3/t11-,12+,13+,14+/m0/s1.
What are the key properties of (3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol?
(3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol has a molecular weight of 288.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-ene-3,5-diol is sourced from PubChem (CID 56590593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).