2-chloroethoxy(4,4-dimethylpent-2-enyl)silane

C9H19ClOSi — CID 154114673

IUPAC2-chloroethoxy(4,4-dimethylpent-2-enyl)silane
SMILESCC(C)(C)C=CC[SiH2]OCCCl
InChIInChI=1S/C9H19ClOSi/c1-9(2,3)5-4-8-12-11-7-6-10/h4-5H,6-8,12H2,1-3H3
InChIKeyPUGCCQYOCPIHNG-UHFFFAOYSA-N
MW206.79 g/mol
LogP2.35
Rot. Bonds5

About 2-chloroethoxy(4,4-dimethylpent-2-enyl)silane

2-chloroethoxy(4,4-dimethylpent-2-enyl)silane (PubChem CID 154114673) has the molecular formula C9H19ClOSi and a molecular weight of 206.79 g/mol. Its IUPAC name is 2-chloroethoxy(4,4-dimethylpent-2-enyl)silane.

Molecular Properties

Compound Name2-chloroethoxy(4,4-dimethylpent-2-enyl)silane
PubChem CID154114673
Molecular FormulaC9H19ClOSi
Molecular Weight206.79 g/mol
Exact Mass206.09
IUPAC Name2-chloroethoxy(4,4-dimethylpent-2-enyl)silane
SMILESCC(C)(C)C=CC[SiH2]OCCCl
InChIInChI=1S/C9H19ClOSi/c1-9(2,3)5-4-8-12-11-7-6-10/h4-5H,6-8,12H2,1-3H3
InChIKeyPUGCCQYOCPIHNG-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.79
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethoxy(4,4-dimethylpent-2-enyl)silane?
The IUPAC name of 2-chloroethoxy(4,4-dimethylpent-2-enyl)silane (CID 154114673) is 2-chloroethoxy(4,4-dimethylpent-2-enyl)silane.
What is the SMILES notation for 2-chloroethoxy(4,4-dimethylpent-2-enyl)silane?
The canonical SMILES for 2-chloroethoxy(4,4-dimethylpent-2-enyl)silane is CC(C)(C)C=CC[SiH2]OCCCl.
What is the InChIKey of 2-chloroethoxy(4,4-dimethylpent-2-enyl)silane?
The InChIKey is PUGCCQYOCPIHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClOSi/c1-9(2,3)5-4-8-12-11-7-6-10/h4-5H,6-8,12H2,1-3H3.
What are the key properties of 2-chloroethoxy(4,4-dimethylpent-2-enyl)silane?
2-chloroethoxy(4,4-dimethylpent-2-enyl)silane has a molecular weight of 206.79 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxy(4,4-dimethylpent-2-enyl)silane is sourced from PubChem (CID 154114673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).