(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol

C19H38O3Si — CID 59566085

IUPAC(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol
SMILESC=CC[C@@H]1CCC(O)[C@](C)(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O3Si/c1-10-11-15-12-13-16(20)19(7,22-15)18(5,6)14-21-23(8,9)17(2,3)4/h10,15-16,20H,1,11-14H2,2-9H3/t15-,16?,19-/m1/s1
InChIKeyOBTJUEUNNFMPLO-XBOMOHCESA-N
MW342.60 g/mol
LogP4.91
Rot. Bonds6

About (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol

(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol (PubChem CID 59566085) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol.

Molecular Properties

Compound Name(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol
PubChem CID59566085
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol
SMILESC=CC[C@@H]1CCC(O)[C@](C)(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O3Si/c1-10-11-15-12-13-16(20)19(7,22-15)18(5,6)14-21-23(8,9)17(2,3)4/h10,15-16,20H,1,11-14H2,2-9H3/t15-,16?,19-/m1/s1
InChIKeyOBTJUEUNNFMPLO-XBOMOHCESA-N
XLogP4.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.91
H-Bond Donors ≤ 51
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 (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol?
The IUPAC name of (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol (CID 59566085) is (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol.
What is the SMILES notation for (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol?
The canonical SMILES for (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol is C=CC[C@@H]1CCC(O)[C@](C)(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol?
The InChIKey is OBTJUEUNNFMPLO-XBOMOHCESA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-11-15-12-13-16(20)19(7,22-15)18(5,6)14-21-23(8,9)17(2,3)4/h10,15-16,20H,1,11-14H2,2-9H3/t15-,16?,19-/m1/s1.
What are the key properties of (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol?
(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol has a molecular weight of 342.60 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-6-prop-2-enyloxan-3-ol is sourced from PubChem (CID 59566085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).