trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane

C17H34O6Si2 — CID 163579598

IUPACtrimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane
SMILESCO[Si](CCC1=CC(C)C(CC[Si](OC)(OC)OC)C=C1)(OC)OC
InChIInChI=1S/C17H34O6Si2/c1-15-14-16(10-12-24(18-2,19-3)20-4)8-9-17(15)11-13-25(21-5,22-6)23-7/h8-9,14-15,17H,10-13H2,1-7H3
InChIKeyGGJZCMNLPCEECP-UHFFFAOYSA-N
MW390.63 g/mol
LogP3.27
Rot. Bonds12

About trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane

trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane (PubChem CID 163579598) has the molecular formula C17H34O6Si2 and a molecular weight of 390.63 g/mol. Its IUPAC name is trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane.

Molecular Properties

Compound Nametrimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane
PubChem CID163579598
Molecular FormulaC17H34O6Si2
Molecular Weight390.63 g/mol
Exact Mass390.19
IUPAC Nametrimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane
SMILESCO[Si](CCC1=CC(C)C(CC[Si](OC)(OC)OC)C=C1)(OC)OC
InChIInChI=1S/C17H34O6Si2/c1-15-14-16(10-12-24(18-2,19-3)20-4)8-9-17(15)11-13-25(21-5,22-6)23-7/h8-9,14-15,17H,10-13H2,1-7H3
InChIKeyGGJZCMNLPCEECP-UHFFFAOYSA-N
XLogP3.27
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.63
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane
CID 134980490
Trimethoxy-[(4-prop-1-en-2-ylcyclohexen-1-yl)-trimethoxysilylmethyl]silane
CID 18347792
[dimethyl(2-trimethoxysilylethyl)silyl]oxy-[(4Z)-3-ethyl-4,8-dimethyldeca-4,9-dienyl]-dimethylsilane
CID 58841437
(2-Cyclopenta-1,3-dien-1-yl-2-triethoxysilylbutyl)-trimethoxysilane
CID 70425953
[Dimethoxy(methyl)silyl]methyl-dimethoxy-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silane
CID 140798637
Triethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane
CID 140798663
Trimethoxy-[[methoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]silane
CID 140798680
Diethoxy-[[ethoxy-methyl-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silyl]methyl]-methoxysilane
CID 140798717
[Diethoxy(methyl)silyl]methyl-diethoxy-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)silane
CID 140798719
Trimethoxy-[4-trimethoxysilyl-1-(trimethoxysilylmethyl)cyclohexa-2,4-dien-1-yl]silane
CID 141762555
2-Methylpropane;bis(5-propan-2-ylcyclohexa-1,3-diene);trimethoxy(propan-2-yl)silane
CID 160397718
[3,4-Bis[dimethyl(prop-2-enyl)silyl]-2-propan-2-ylcyclopenta-2,4-dien-1-yl]-trimethoxysilane;carbanide;platinum(4+)
CID 173732522

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane?
The IUPAC name of trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane (CID 163579598) is trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane.
What is the SMILES notation for trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane?
The canonical SMILES for trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane is CO[Si](CCC1=CC(C)C(CC[Si](OC)(OC)OC)C=C1)(OC)OC.
What is the InChIKey of trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane?
The InChIKey is GGJZCMNLPCEECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O6Si2/c1-15-14-16(10-12-24(18-2,19-3)20-4)8-9-17(15)11-13-25(21-5,22-6)23-7/h8-9,14-15,17H,10-13H2,1-7H3.
What are the key properties of trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane?
trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane has a molecular weight of 390.63 g/mol, XLogP of 3.27, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[2-[3-methyl-4-(2-trimethoxysilylethyl)cyclohexa-1,5-dien-1-yl]ethyl]silane is sourced from PubChem (CID 163579598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).