tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane

C11H22OSi — CID 588004

IUPACtert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane
SMILESC=C=CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-8-9-10(2)12-13(6,7)11(3,4)5/h9-10H,1H2,2-7H3
InChIKeyLNMQVKVDNBIHDL-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.74
Rot. Bonds3

About tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane

tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane (PubChem CID 588004) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane
PubChem CID588004
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Nametert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane
SMILESC=C=CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-8-9-10(2)12-13(6,7)11(3,4)5/h9-10H,1H2,2-7H3
InChIKeyLNMQVKVDNBIHDL-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane?
The IUPAC name of tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane (CID 588004) is tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane.
What is the SMILES notation for tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane?
The canonical SMILES for tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane is C=C=CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane?
The InChIKey is LNMQVKVDNBIHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-8-9-10(2)12-13(6,7)11(3,4)5/h9-10H,1H2,2-7H3.
What are the key properties of tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane?
tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane has a molecular weight of 198.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-penta-3,4-dien-2-yloxysilane is sourced from PubChem (CID 588004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).