tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane

C19H42O2Si2 — CID 25001970

IUPACtert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
SMILESC=CCCC[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O2Si2/c1-12-13-14-15-17(21-23(10,11)19(5,6)7)16-20-22(8,9)18(2,3)4/h12,17H,1,13-16H2,2-11H3/t17-/m0/s1
InChIKeyHAJUNTGZAPQBJC-KRWDZBQOSA-N
MW358.72 g/mol
LogP6.75
Rot. Bonds9

About tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane

tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane (PubChem CID 25001970) has the molecular formula C19H42O2Si2 and a molecular weight of 358.72 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
PubChem CID25001970
Molecular FormulaC19H42O2Si2
Molecular Weight358.72 g/mol
Exact Mass358.27
IUPAC Nametert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
SMILESC=CCCC[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O2Si2/c1-12-13-14-15-17(21-23(10,11)19(5,6)7)16-20-22(8,9)18(2,3)4/h12,17H,1,13-16H2,2-11H3/t17-/m0/s1
InChIKeyHAJUNTGZAPQBJC-KRWDZBQOSA-N
XLogP6.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.72
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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CID 15217373
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tert-butyl-dimethyl-octadec-17-enoxysilane
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tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hept-6-en-2-amine
CID 22466195
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
CID 11102782
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
CID 11558306
(2R,5S,6R,9R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyl-7-oxotetradec-13-enal
CID 134948843
tert-butyl-dimethyl-prop-2-enoxysilane;trimethyl(prop-2-enoxy)silane
CID 87853444

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane (CID 25001970) is tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane is C=CCCC[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane?
The InChIKey is HAJUNTGZAPQBJC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H42O2Si2/c1-12-13-14-15-17(21-23(10,11)19(5,6)7)16-20-22(8,9)18(2,3)4/h12,17H,1,13-16H2,2-11H3/t17-/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane?
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane has a molecular weight of 358.72 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane is sourced from PubChem (CID 25001970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).