(10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane

C18H37ClO3Si2 — CID 134867218

IUPAC(10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane
SMILESCCOC(=CC(=CCCCCCCCl)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H37ClO3Si2/c1-8-20-18(22-24(5,6)7)16-17(21-23(2,3)4)14-12-10-9-11-13-15-19/h14,16H,8-13,15H2,1-7H3
InChIKeyOVFYONYBIWWXTB-UHFFFAOYSA-N
MW393.12 g/mol
LogP6.64
Rot. Bonds13

About (10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane

(10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane (PubChem CID 134867218) has the molecular formula C18H37ClO3Si2 and a molecular weight of 393.12 g/mol. Its IUPAC name is (10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane.

Molecular Properties

Compound Name(10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane
PubChem CID134867218
Molecular FormulaC18H37ClO3Si2
Molecular Weight393.12 g/mol
Exact Mass392.20
IUPAC Name(10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane
SMILESCCOC(=CC(=CCCCCCCCl)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H37ClO3Si2/c1-8-20-18(22-24(5,6)7)16-17(21-23(2,3)4)14-12-10-9-11-13-15-19/h14,16H,8-13,15H2,1-7H3
InChIKeyOVFYONYBIWWXTB-UHFFFAOYSA-N
XLogP6.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.12
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane?
The IUPAC name of (10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane (CID 134867218) is (10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane.
What is the SMILES notation for (10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane?
The canonical SMILES for (10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane is CCOC(=CC(=CCCCCCCCl)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane?
The InChIKey is OVFYONYBIWWXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37ClO3Si2/c1-8-20-18(22-24(5,6)7)16-17(21-23(2,3)4)14-12-10-9-11-13-15-19/h14,16H,8-13,15H2,1-7H3.
What are the key properties of (10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane?
(10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane has a molecular weight of 393.12 g/mol, XLogP of 6.64, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10-chloro-1-ethoxy-3-trimethylsilyloxydeca-1,3-dienoxy)-trimethylsilane is sourced from PubChem (CID 134867218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).