tert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane

C12H24OSi — CID 10899947

IUPACtert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane
SMILESC=C(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24OSi/c1-10(2)9-11(3)13-14(7,8)12(4,5)6/h9H,3H2,1-2,4-8H3
InChIKeyKZPAGNULEWGMPI-UHFFFAOYSA-N
MW212.41 g/mol
LogP4.49
Rot. Bonds3

About tert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane

tert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane (PubChem CID 10899947) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane
PubChem CID10899947
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Nametert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane
SMILESC=C(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24OSi/c1-10(2)9-11(3)13-14(7,8)12(4,5)6/h9H,3H2,1-2,4-8H3
InChIKeyKZPAGNULEWGMPI-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane (CID 10899947) is tert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane is C=C(C=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane?
The InChIKey is KZPAGNULEWGMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-10(2)9-11(3)13-14(7,8)12(4,5)6/h9H,3H2,1-2,4-8H3.
What are the key properties of tert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane?
tert-butyl-dimethyl-(4-methylpenta-1,3-dien-2-yloxy)silane has a molecular weight of 212.41 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-(4-methylpenta-1,3-dien-2-yloxy)silane is sourced from PubChem (CID 10899947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).