dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane

C12H22Cl2Si — CID 14976242

IUPACdichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane
SMILESC=C(C)C(=C)C[Si](Cl)(Cl)CCC(C)(C)C
InChIInChI=1S/C12H22Cl2Si/c1-10(2)11(3)9-15(13,14)8-7-12(4,5)6/h1,3,7-9H2,2,4-6H3
InChIKeyPKQPGRIGSPRTFO-UHFFFAOYSA-N
MW265.30 g/mol
LogP5.47
Rot. Bonds5

About dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane

dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane (PubChem CID 14976242) has the molecular formula C12H22Cl2Si and a molecular weight of 265.30 g/mol. Its IUPAC name is dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane.

Molecular Properties

Compound Namedichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane
PubChem CID14976242
Molecular FormulaC12H22Cl2Si
Molecular Weight265.30 g/mol
Exact Mass264.09
IUPAC Namedichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane
SMILESC=C(C)C(=C)C[Si](Cl)(Cl)CCC(C)(C)C
InChIInChI=1S/C12H22Cl2Si/c1-10(2)11(3)9-15(13,14)8-7-12(4,5)6/h1,3,7-9H2,2,4-6H3
InChIKeyPKQPGRIGSPRTFO-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.30
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane?
The IUPAC name of dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane (CID 14976242) is dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane.
What is the SMILES notation for dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane?
The canonical SMILES for dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane is C=C(C)C(=C)C[Si](Cl)(Cl)CCC(C)(C)C.
What is the InChIKey of dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane?
The InChIKey is PKQPGRIGSPRTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl2Si/c1-10(2)11(3)9-15(13,14)8-7-12(4,5)6/h1,3,7-9H2,2,4-6H3.
What are the key properties of dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane?
dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane has a molecular weight of 265.30 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(3,3-dimethylbutyl)-(3-methyl-2-methylidenebut-3-enyl)silane is sourced from PubChem (CID 14976242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).