(2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol

C15H32O3Si — CID 10661050

IUPAC(2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol
SMILESC[C@H]1CCC[C@H](O)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H32O3Si/c1-12-8-7-9-13(16)14(18-12)10-11-17-19(5,6)15(2,3)4/h12-14,16H,7-11H2,1-6H3/t12-,13-,14+/m0/s1
InChIKeyRSIUBRXACGEJMG-MELADBBJSA-N
MW288.50 g/mol
LogP3.72
Rot. Bonds4

About (2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol

(2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol (PubChem CID 10661050) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is (2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol.

Molecular Properties

Compound Name(2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol
PubChem CID10661050
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name(2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol
SMILESC[C@H]1CCC[C@H](O)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H32O3Si/c1-12-8-7-9-13(16)14(18-12)10-11-17-19(5,6)15(2,3)4/h12-14,16H,7-11H2,1-6H3/t12-,13-,14+/m0/s1
InChIKeyRSIUBRXACGEJMG-MELADBBJSA-N
XLogP3.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.72
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,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol?
The IUPAC name of (2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol (CID 10661050) is (2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol.
What is the SMILES notation for (2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol?
The canonical SMILES for (2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol is C[C@H]1CCC[C@H](O)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol?
The InChIKey is RSIUBRXACGEJMG-MELADBBJSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-12-8-7-9-13(16)14(18-12)10-11-17-19(5,6)15(2,3)4/h12-14,16H,7-11H2,1-6H3/t12-,13-,14+/m0/s1.
What are the key properties of (2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol?
(2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol has a molecular weight of 288.50 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,7S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyloxepan-3-ol is sourced from PubChem (CID 10661050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).