(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol

C15H34O3Si — CID 14213441

IUPAC(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol
SMILESCCCC[C@@](C)(OC)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si/c1-9-10-11-15(5,17-6)13(12-16)18-19(7,8)14(2,3)4/h13,16H,9-12H2,1-8H3/t13-,15-/m1/s1
InChIKeyRXHVLTBRLZEPFF-UKRRQHHQSA-N
MW290.52 g/mol
LogP3.96
Rot. Bonds8

About (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol

(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol (PubChem CID 14213441) has the molecular formula C15H34O3Si and a molecular weight of 290.52 g/mol. Its IUPAC name is (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol.

Molecular Properties

Compound Name(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol
PubChem CID14213441
Molecular FormulaC15H34O3Si
Molecular Weight290.52 g/mol
Exact Mass290.23
IUPAC Name(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol
SMILESCCCC[C@@](C)(OC)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O3Si/c1-9-10-11-15(5,17-6)13(12-16)18-19(7,8)14(2,3)4/h13,16H,9-12H2,1-8H3/t13-,15-/m1/s1
InChIKeyRXHVLTBRLZEPFF-UKRRQHHQSA-N
XLogP3.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol?
The IUPAC name of (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol (CID 14213441) is (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol.
What is the SMILES notation for (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol?
The canonical SMILES for (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol is CCCC[C@@](C)(OC)[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol?
The InChIKey is RXHVLTBRLZEPFF-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H34O3Si/c1-9-10-11-15(5,17-6)13(12-16)18-19(7,8)14(2,3)4/h13,16H,9-12H2,1-8H3/t13-,15-/m1/s1.
What are the key properties of (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol?
(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol has a molecular weight of 290.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-3-methylheptan-1-ol is sourced from PubChem (CID 14213441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).