(2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane

C12H26OSi — CID 150237464

IUPAC(2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane
SMILESCCO[SiH2]C=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-8-13-14-9-10(11(2,3)4)12(5,6)7/h9H,8,14H2,1-7H3
InChIKeyFWUVPHUPCUYDPG-UHFFFAOYSA-N
MW214.42 g/mol
LogP3.08
Rot. Bonds3

About (2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane

(2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane (PubChem CID 150237464) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is (2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane.

Molecular Properties

Compound Name(2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane
PubChem CID150237464
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name(2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane
SMILESCCO[SiH2]C=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-8-13-14-9-10(11(2,3)4)12(5,6)7/h9H,8,14H2,1-7H3
InChIKeyFWUVPHUPCUYDPG-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-Dimethylbutoxy-(3,3-dimethyl-2-methylidenebutyl)silane
CID 123732278
Butoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane
CID 148247157
2-Ethylbut-1-enyl(propoxy)silane
CID 154005459
Ethoxy(2-ethylbut-1-enyl)silane
CID 154084670
3-Methylbutoxy-(3-methyl-2-propan-2-ylbut-1-enyl)silane
CID 154109738
(3,3-Dimethyl-2-methylidenebutyl)-propan-2-yloxysilane
CID 173036644
(2-Tert-butyl-3,3-dimethylbut-1-enoxy)-trimethylsilane
CID 50924334

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane?
The IUPAC name of (2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane (CID 150237464) is (2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane.
What is the SMILES notation for (2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane?
The canonical SMILES for (2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane is CCO[SiH2]C=C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane?
The InChIKey is FWUVPHUPCUYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-8-13-14-9-10(11(2,3)4)12(5,6)7/h9H,8,14H2,1-7H3.
What are the key properties of (2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane?
(2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane has a molecular weight of 214.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-3,3-dimethylbut-1-enyl)-ethoxysilane is sourced from PubChem (CID 150237464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).