tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane

C25H36OSi — CID 160977016

IUPACtert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
SMILESC=C(C)C[C@@H](C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36OSi/c1-21(2)20-22(3)14-13-19-26-27(25(4,5)6,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7-12,15-18,22H,1,13-14,19-20H2,2-6H3/t22-/m0/s1
InChIKeyTZYKFGIRCWFGHP-QFIPXVFZSA-N
MW380.65 g/mol
LogP5.95
Rot. Bonds9

About tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane

tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane (PubChem CID 160977016) has the molecular formula C25H36OSi and a molecular weight of 380.65 g/mol. Its IUPAC name is tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
PubChem CID160977016
Molecular FormulaC25H36OSi
Molecular Weight380.65 g/mol
Exact Mass380.25
IUPAC Nametert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
SMILESC=C(C)C[C@@H](C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36OSi/c1-21(2)20-22(3)14-13-19-26-27(25(4,5)6,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7-12,15-18,22H,1,13-14,19-20H2,2-6H3/t22-/m0/s1
InChIKeyTZYKFGIRCWFGHP-QFIPXVFZSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.65
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane;(5S)-8-[tert-butyl(diphenyl)silyl]oxy-5-methyl-3-methylideneoctan-2-one;ethene
CID 160977015
(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
CID 11003481
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148
[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane
CID 25117682
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
CID 58842048
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
CID 71605136
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane (CID 160977016) is tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane is C=C(C)C[C@@H](C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane?
The InChIKey is TZYKFGIRCWFGHP-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H36OSi/c1-21(2)20-22(3)14-13-19-26-27(25(4,5)6,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7-12,15-18,22H,1,13-14,19-20H2,2-6H3/t22-/m0/s1.
What are the key properties of tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane?
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane has a molecular weight of 380.65 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane is sourced from PubChem (CID 160977016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).