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

C15H34O3Si — CID 11403559

IUPAC(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol
SMILESCC(C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si/c1-10(2)13(16)11(3)14(17)12(4)18-19(8,9)15(5,6)7/h10-14,16-17H,1-9H3/t11-,12+,13+,14+/m1/s1
InChIKeyUCNFDRJDDOIVCJ-RFGFWPKPSA-N
MW290.52 g/mol
LogP3.41
Rot. Bonds6

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

(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol (PubChem CID 11403559) has the molecular formula C15H34O3Si and a molecular weight of 290.52 g/mol. Its IUPAC name is (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol
PubChem CID11403559
Molecular FormulaC15H34O3Si
Molecular Weight290.52 g/mol
Exact Mass290.23
IUPAC Name(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol
SMILESCC(C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si/c1-10(2)13(16)11(3)14(17)12(4)18-19(8,9)15(5,6)7/h10-14,16-17H,1-9H3/t11-,12+,13+,14+/m1/s1
InChIKeyUCNFDRJDDOIVCJ-RFGFWPKPSA-N
XLogP3.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-Dibutyl-5-ethyl-1,3,2-dioxasilinan-4-yl)-2-(fluoromethyl)butan-1-ol
CID 143247526
(2R,3S,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 11089168
(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol
CID 11437755
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol
CID 12020419
(3S)-3-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]butane-1,2-diol
CID 16680393
(2S,3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-2,3-diol
CID 21771973
(2R,3R,4S,5R)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 101369900
(3R,4R,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol
CID 102278788
(3S,4S,5S,6R)-5-ethyl-6-triethylsilyloxyoctane-3,4-diol
CID 102278790
(3s,4s)-3-[t-Butyl(dimethyl)silyloxy]-4-methyldecan-1-ol
CID 129747570
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctan-1-ol
CID 134857526
(2R,3S,4S,5S)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yne-2,4-diol
CID 134934598

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol?
The IUPAC name of (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol (CID 11403559) is (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol.
What is the SMILES notation for (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol?
The canonical SMILES for (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol is CC(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 (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol?
The InChIKey is UCNFDRJDDOIVCJ-RFGFWPKPSA-N. The full InChI is InChI=1S/C15H34O3Si/c1-10(2)13(16)11(3)14(17)12(4)18-19(8,9)15(5,6)7/h10-14,16-17H,1-9H3/t11-,12+,13+,14+/m1/s1.
What are the key properties of (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol?
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol has a molecular weight of 290.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptane-3,5-diol is sourced from PubChem (CID 11403559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).