tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane

C16H34OSi — CID 154722229

IUPACtert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
SMILESCC(C)=CC[C@@H](C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34OSi/c1-13(2)10-11-14(3)15(4)12-17-18(8,9)16(5,6)7/h10,14-15H,11-12H2,1-9H3/t14-,15+/m1/s1
InChIKeyRJMQTBONIMCWKZ-CABCVRRESA-N
MW270.53 g/mol
LogP5.64
Rot. Bonds6

About tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane

tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane (PubChem CID 154722229) has the molecular formula C16H34OSi and a molecular weight of 270.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
PubChem CID154722229
Molecular FormulaC16H34OSi
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Nametert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
SMILESCC(C)=CC[C@@H](C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34OSi/c1-13(2)10-11-14(3)15(4)12-17-18(8,9)16(5,6)7/h10,14-15H,11-12H2,1-9H3/t14-,15+/m1/s1
InChIKeyRJMQTBONIMCWKZ-CABCVRRESA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-ol
CID 13198877
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2R,3R,4S,6S,7S)-4,6,8-tris[[tert-butyl(dimethyl)silyl]oxy]-3,7-dimethyloctan-2-ol
CID 71664998
(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-tert-butylsulfanyl-2,4-dimethylpent-1-en-3-ol
CID 10854068
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-trimethylsilylpent-1-yn-3-ol
CID 71561744
(E,2S,3R)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhept-4-en-3-ol
CID 101339681
sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 23697835
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311
(5R,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dien-5-ol
CID 140765683
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane (CID 154722229) is tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane is CC(C)=CC[C@@H](C)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane?
The InChIKey is RJMQTBONIMCWKZ-CABCVRRESA-N. The full InChI is InChI=1S/C16H34OSi/c1-13(2)10-11-14(3)15(4)12-17-18(8,9)16(5,6)7/h10,14-15H,11-12H2,1-9H3/t14-,15+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane?
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane has a molecular weight of 270.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane is sourced from PubChem (CID 154722229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).