(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol

C11H24O3Si — CID 134861359

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol
SMILESC=C(CO)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-9(7-12)10(8-13)14-15(5,6)11(2,3)4/h10,12-13H,1,7-8H2,2-6H3/t10-/m1/s1
InChIKeyHLKMERHZDTXEOR-SNVBAGLBSA-N
MW232.40 g/mol
LogP1.92
Rot. Bonds5

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol (PubChem CID 134861359) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol
PubChem CID134861359
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol
SMILESC=C(CO)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-9(7-12)10(8-13)14-15(5,6)11(2,3)4/h10,12-13H,1,7-8H2,2-6H3/t10-/m1/s1
InChIKeyHLKMERHZDTXEOR-SNVBAGLBSA-N
XLogP1.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 51.92
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 (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol (CID 134861359) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol is C=C(CO)[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol?
The InChIKey is HLKMERHZDTXEOR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-9(7-12)10(8-13)14-15(5,6)11(2,3)4/h10,12-13H,1,7-8H2,2-6H3/t10-/m1/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol has a molecular weight of 232.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylidenebutane-1,4-diol is sourced from PubChem (CID 134861359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).