(2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane

C18H36O6Si2 — CID 70425953

IUPAC(2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane
SMILESCCO[Si](OCC)(OCC)C(CC)(C[Si](OC)(OC)OC)C1=CC=CC1
InChIInChI=1S/C18H36O6Si2/c1-8-18(17-14-12-13-15-17,16-25(19-5,20-6)21-7)26(22-9-2,23-10-3)24-11-4/h12-14H,8-11,15-16H2,1-7H3
InChIKeyXDEKJVJMUSPBNQ-UHFFFAOYSA-N
MW404.65 g/mol
LogP3.95
Rot. Bonds14

About (2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane

(2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane (PubChem CID 70425953) has the molecular formula C18H36O6Si2 and a molecular weight of 404.65 g/mol. Its IUPAC name is (2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane.

Molecular Properties

Compound Name(2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane
PubChem CID70425953
Molecular FormulaC18H36O6Si2
Molecular Weight404.65 g/mol
Exact Mass404.21
IUPAC Name(2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane
SMILESCCO[Si](OCC)(OCC)C(CC)(C[Si](OC)(OC)OC)C1=CC=CC1
InChIInChI=1S/C18H36O6Si2/c1-8-18(17-14-12-13-15-17,16-25(19-5,20-6)21-7)26(22-9-2,23-10-3)24-11-4/h12-14H,8-11,15-16H2,1-7H3
InChIKeyXDEKJVJMUSPBNQ-UHFFFAOYSA-N
XLogP3.95
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.65
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane?
The IUPAC name of (2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane (CID 70425953) is (2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane.
What is the SMILES notation for (2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane?
The canonical SMILES for (2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane is CCO[Si](OCC)(OCC)C(CC)(C[Si](OC)(OC)OC)C1=CC=CC1.
What is the InChIKey of (2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane?
The InChIKey is XDEKJVJMUSPBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O6Si2/c1-8-18(17-14-12-13-15-17,16-25(19-5,20-6)21-7)26(22-9-2,23-10-3)24-11-4/h12-14H,8-11,15-16H2,1-7H3.
What are the key properties of (2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane?
(2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane has a molecular weight of 404.65 g/mol, XLogP of 3.95, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane is sourced from PubChem (CID 70425953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).