tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane

C14H30OSi — CID 76815810

IUPACtert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
SMILESCC(C)(C)CC=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-13(2,3)11-9-10-12-15-16(7,8)14(4,5)6/h9-10H,11-12H2,1-8H3
InChIKeySMHAIRKHYCUOBH-UHFFFAOYSA-N
MW242.48 g/mol
LogP5.00
Rot. Bonds4

About tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane

tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane (PubChem CID 76815810) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
PubChem CID76815810
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Nametert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
SMILESCC(C)(C)CC=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-13(2,3)11-9-10-12-15-16(7,8)14(4,5)6/h9-10H,11-12H2,1-8H3
InChIKeySMHAIRKHYCUOBH-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
(E)-4-[tert-butyl(dimethyl)silyl]oxy-N-methylbut-2-en-1-amine
CID 125478313
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
tert-butyl-dimethyl-[(2Z,6E)-6-methylocta-2,6-dienoxy]silane
CID 124629180
tert-butyl-dimethyl-[(Z)-pent-2-en-4-ynoxy]silane
CID 135083715
4-azidobut-2-enoxy-tert-butyl-dimethylsilane
CID 71412857
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
tert-butyl-[(Z)-hex-2-en-4-ynoxy]-dimethylsilane
CID 121012872
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
tert-butyl-dimethyl-[(E)-5-[(2R)-oxiran-2-yl]pent-2-enoxy]silane
CID 124636126

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane (CID 76815810) is tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane is CC(C)(C)CC=CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane?
The InChIKey is SMHAIRKHYCUOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-13(2,3)11-9-10-12-15-16(7,8)14(4,5)6/h9-10H,11-12H2,1-8H3.
What are the key properties of tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane?
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane has a molecular weight of 242.48 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane is sourced from PubChem (CID 76815810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).