tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane

C14H24OSi — CID 11615614

IUPACtert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)/C(C)=C/C#CC
InChIInChI=1S/C14H24OSi/c1-9-10-11-12(2)13(3)15-16(7,8)14(4,5)6/h11H,3H2,1-2,4-8H3/b12-11+
InChIKeyXOXXKEBKLRMXCQ-VAWYXSNFSA-N
MW236.43 g/mol
LogP4.49
Rot. Bonds3

About tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane

tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane (PubChem CID 11615614) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane
PubChem CID11615614
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Nametert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)/C(C)=C/C#CC
InChIInChI=1S/C14H24OSi/c1-9-10-11-12(2)13(3)15-16(7,8)14(4,5)6/h11H,3H2,1-2,4-8H3/b12-11+
InChIKeyXOXXKEBKLRMXCQ-VAWYXSNFSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 54.49
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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane (CID 11615614) is tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane is C=C(O[Si](C)(C)C(C)(C)C)/C(C)=C/C#CC.
What is the InChIKey of tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane?
The InChIKey is XOXXKEBKLRMXCQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H24OSi/c1-9-10-11-12(2)13(3)15-16(7,8)14(4,5)6/h11H,3H2,1-2,4-8H3/b12-11+.
What are the key properties of tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane?
tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane has a molecular weight of 236.43 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3E)-3-methylhepta-1,3-dien-5-yn-2-yl]oxysilane is sourced from PubChem (CID 11615614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).