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

C18H36O3Si2 — CID 140798655

IUPACdiethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methylsilane
SMILESCCO[Si](C)(C[Si](C)(OCC)C1=CC=C(C(C)C)CC1)OCC
InChIInChI=1S/C18H36O3Si2/c1-8-19-22(6,15-23(7,20-9-2)21-10-3)18-13-11-17(12-14-18)16(4)5/h11,13,16H,8-10,12,14-15H2,1-7H3
InChIKeyXLOVNZKBRGOOMY-UHFFFAOYSA-N
MW356.66 g/mol
LogP5.12
Rot. Bonds10

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

diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methylsilane (PubChem CID 140798655) has the molecular formula C18H36O3Si2 and a molecular weight of 356.66 g/mol. Its IUPAC name is diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methylsilane.

Molecular Properties

Compound Namediethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methylsilane
PubChem CID140798655
Molecular FormulaC18H36O3Si2
Molecular Weight356.66 g/mol
Exact Mass356.22
IUPAC Namediethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methylsilane
SMILESCCO[Si](C)(C[Si](C)(OCC)C1=CC=C(C(C)C)CC1)OCC
InChIInChI=1S/C18H36O3Si2/c1-8-19-22(6,15-23(7,20-9-2)21-10-3)18-13-11-17(12-14-18)16(4)5/h11,13,16H,8-10,12,14-15H2,1-7H3
InChIKeyXLOVNZKBRGOOMY-UHFFFAOYSA-N
XLogP5.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.66
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]-methylsilane?
The IUPAC name of diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methylsilane (CID 140798655) is diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methylsilane.
What is the SMILES notation for diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methylsilane?
The canonical SMILES for diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methylsilane is CCO[Si](C)(C[Si](C)(OCC)C1=CC=C(C(C)C)CC1)OCC.
What is the InChIKey of diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methylsilane?
The InChIKey is XLOVNZKBRGOOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3Si2/c1-8-19-22(6,15-23(7,20-9-2)21-10-3)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]-methylsilane?
diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methylsilane has a molecular weight of 356.66 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 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]-methylsilane is sourced from PubChem (CID 140798655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).