2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane

C13H25ClO3Si — CID 66845956

IUPAC2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane
SMILESCCO[Si]1(CCCC(C)=CCCl)OCC(C)CO1
InChIInChI=1S/C13H25ClO3Si/c1-4-15-18(16-10-13(3)11-17-18)9-5-6-12(2)7-8-14/h7,13H,4-6,8-11H2,1-3H3
InChIKeyXDFFGGIPRKPFJM-UHFFFAOYSA-N
MW292.88 g/mol
LogP3.61
Rot. Bonds7

About 2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane

2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane (PubChem CID 66845956) has the molecular formula C13H25ClO3Si and a molecular weight of 292.88 g/mol. Its IUPAC name is 2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane
PubChem CID66845956
Molecular FormulaC13H25ClO3Si
Molecular Weight292.88 g/mol
Exact Mass292.13
IUPAC Name2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane
SMILESCCO[Si]1(CCCC(C)=CCCl)OCC(C)CO1
InChIInChI=1S/C13H25ClO3Si/c1-4-15-18(16-10-13(3)11-17-18)9-5-6-12(2)7-8-14/h7,13H,4-6,8-11H2,1-3H3
InChIKeyXDFFGGIPRKPFJM-UHFFFAOYSA-N
XLogP3.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.88
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane?
The IUPAC name of 2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane (CID 66845956) is 2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane.
What is the SMILES notation for 2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane?
The canonical SMILES for 2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane is CCO[Si]1(CCCC(C)=CCCl)OCC(C)CO1.
What is the InChIKey of 2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane?
The InChIKey is XDFFGGIPRKPFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO3Si/c1-4-15-18(16-10-13(3)11-17-18)9-5-6-12(2)7-8-14/h7,13H,4-6,8-11H2,1-3H3.
What are the key properties of 2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane?
2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane has a molecular weight of 292.88 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane is sourced from PubChem (CID 66845956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).