tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane

C14H30OSi — CID 11776525

IUPACtert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane
SMILESC=C(C)C[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-12(2)11-13(3)9-10-15-16(7,8)14(4,5)6/h13H,1,9-11H2,2-8H3/t13-/m1/s1
InChIKeyJCQAELRQTKULIU-CYBMUJFWSA-N
MW242.48 g/mol
LogP5.00
Rot. Bonds6

About tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane

tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane (PubChem CID 11776525) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane
PubChem CID11776525
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Nametert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane
SMILESC=C(C)C[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-12(2)11-13(3)9-10-15-16(7,8)14(4,5)6/h13H,1,9-11H2,2-8H3/t13-/m1/s1
InChIKeyJCQAELRQTKULIU-CYBMUJFWSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.48
LogP ≤ 55.00
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

Silane, [(3,7-dimethyl-6-octenyl)oxy]trimethyl-
CID 557338
Tert-butyl(dimethyl)[(4-methyl-4-pentenyl)oxy]silane
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(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
CID 11043851
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178
tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane
CID 24865147
tert-butyl-[(3S,5S)-6-iodo-3,5-dimethyl-2-methylidenehexoxy]-dimethylsilane
CID 46197624
Tert-butyl-dimethyl-[3-(2-methylidenecyclopropyl)propoxy]silane
CID 102013865
{[(3r)-5-(Bromomethyl)-3-methylhex-5-en-1-yl]-oxy}(t-butyl)dimethylsilane
CID 129756535
Triethyl((4-methylpent-4-en-1-yl)oxy)silane
CID 132274627
[(Z)-3-ethyl-2-methylhept-1-enoxy]-trimethylsilane
CID 134901430

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane (CID 11776525) is tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane is C=C(C)C[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane?
The InChIKey is JCQAELRQTKULIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H30OSi/c1-12(2)11-13(3)9-10-15-16(7,8)14(4,5)6/h13H,1,9-11H2,2-8H3/t13-/m1/s1.
What are the key properties of tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane?
tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane has a molecular weight of 242.48 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-3,5-dimethylhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 11776525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).