(3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol

C15H32O2Si — CID 46217751

IUPAC(3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol
SMILESC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O)C(C)C
InChIInChI=1S/C15H32O2Si/c1-9-13(14(16)12(2)3)10-11-17-18(7,8)15(4,5)6/h9,12-14,16H,1,10-11H2,2-8H3/t13-,14+/m0/s1
InChIKeyLJYSMSSHCQOGBF-UONOGXRCSA-N
MW272.50 g/mol
LogP4.22
Rot. Bonds7

About (3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol

(3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol (PubChem CID 46217751) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol
PubChem CID46217751
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol
SMILESC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O)C(C)C
InChIInChI=1S/C15H32O2Si/c1-9-13(14(16)12(2)3)10-11-17-18(7,8)15(4,5)6/h9,12-14,16H,1,10-11H2,2-8H3/t13-,14+/m0/s1
InChIKeyLJYSMSSHCQOGBF-UONOGXRCSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol?
The IUPAC name of (3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol (CID 46217751) is (3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol.
What is the SMILES notation for (3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol?
The canonical SMILES for (3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol is C=C[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O)C(C)C.
What is the InChIKey of (3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol?
The InChIKey is LJYSMSSHCQOGBF-UONOGXRCSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-9-13(14(16)12(2)3)10-11-17-18(7,8)15(4,5)6/h9,12-14,16H,1,10-11H2,2-8H3/t13-,14+/m0/s1.
What are the key properties of (3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol?
(3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol has a molecular weight of 272.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol is sourced from PubChem (CID 46217751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).