tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane

C14H28OSi — CID 10879267

IUPACtert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane
SMILESC=CC(C)/C=C(\CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-9-12(3)11-13(10-2)15-16(7,8)14(4,5)6/h9,11-12H,1,10H2,2-8H3/b13-11+
InChIKeyAVCBLDBMVZOCDD-ACCUITESSA-N
MW240.46 g/mol
LogP5.12
Rot. Bonds5

About tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane

tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane (PubChem CID 10879267) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane
PubChem CID10879267
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Nametert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane
SMILESC=CC(C)/C=C(\CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-9-12(3)11-13(10-2)15-16(7,8)14(4,5)6/h9,11-12H,1,10H2,2-8H3/b13-11+
InChIKeyAVCBLDBMVZOCDD-ACCUITESSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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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tert-butyl-(2-ethylbut-3-enoxy)-dimethylsilane
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CID 11102001
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
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(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(3S,4Z)-4-[tert-butyl(dimethyl)silyl]oxy-7-phenyl-N-[(1R)-1-phenylethyl]hepta-1,4-dien-3-amine
CID 134813832
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane (CID 10879267) is tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane is C=CC(C)/C=C(\CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane?
The InChIKey is AVCBLDBMVZOCDD-ACCUITESSA-N. The full InChI is InChI=1S/C14H28OSi/c1-9-12(3)11-13(10-2)15-16(7,8)14(4,5)6/h9,11-12H,1,10H2,2-8H3/b13-11+.
What are the key properties of tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane?
tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane has a molecular weight of 240.46 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane is sourced from PubChem (CID 10879267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).