diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane

C18H36O4Si2 — CID 140798717

IUPACdiethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane
SMILESCCO[Si](C[Si](C)(OCC)C1=CC=C(C(C)C)CC1)(OC)OCC
InChIInChI=1S/C18H36O4Si2/c1-8-20-23(7,15-24(19-6,21-9-2)22-10-3)18-13-11-17(12-14-18)16(4)5/h11,13,16H,8-10,12,14-15H2,1-7H3
InChIKeyHZCCHXYRPOPTGH-UHFFFAOYSA-N
MW372.65 g/mol
LogP4.64
Rot. Bonds11

About diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane

diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane (PubChem CID 140798717) has the molecular formula C18H36O4Si2 and a molecular weight of 372.65 g/mol. Its IUPAC name is diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane.

Molecular Properties

Compound Namediethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane
PubChem CID140798717
Molecular FormulaC18H36O4Si2
Molecular Weight372.65 g/mol
Exact Mass372.22
IUPAC Namediethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane
SMILESCCO[Si](C[Si](C)(OCC)C1=CC=C(C(C)C)CC1)(OC)OCC
InChIInChI=1S/C18H36O4Si2/c1-8-20-23(7,15-24(19-6,21-9-2)22-10-3)18-13-11-17(12-14-18)16(4)5/h11,13,16H,8-10,12,14-15H2,1-7H3
InChIKeyHZCCHXYRPOPTGH-UHFFFAOYSA-N
XLogP4.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane?
The IUPAC name of diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane (CID 140798717) is diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane.
What is the SMILES notation for diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane?
The canonical SMILES for diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane is CCO[Si](C[Si](C)(OCC)C1=CC=C(C(C)C)CC1)(OC)OCC.
What is the InChIKey of diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane?
The InChIKey is HZCCHXYRPOPTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4Si2/c1-8-20-23(7,15-24(19-6,21-9-2)22-10-3)18-13-11-17(12-14-18)16(4)5/h11,13,16H,8-10,12,14-15H2,1-7H3.
What are the key properties of diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane?
diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane has a molecular weight of 372.65 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane is sourced from PubChem (CID 140798717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).