trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane

C18H28O6Si2 — CID 137350344

IUPACtrimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane
SMILESCO[Si](OC)(OC)C1([Si](OC)(OC)OC)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C18H28O6Si2/c1-19-25(20-2,21-3)18(26(22-4,23-5)24-6)14-12-17(13-15-18)16-10-8-7-9-11-16/h7-14H,15H2,1-6H3
InChIKeyBAOLJWAAUVDPBY-UHFFFAOYSA-N
MW396.59 g/mol
LogP3.07
Rot. Bonds9

About trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane

trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane (PubChem CID 137350344) has the molecular formula C18H28O6Si2 and a molecular weight of 396.59 g/mol. Its IUPAC name is trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametrimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane
PubChem CID137350344
Molecular FormulaC18H28O6Si2
Molecular Weight396.59 g/mol
Exact Mass396.14
IUPAC Nametrimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane
SMILESCO[Si](OC)(OC)C1([Si](OC)(OC)OC)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C18H28O6Si2/c1-19-25(20-2,21-3)18(26(22-4,23-5)24-6)14-12-17(13-15-18)16-10-8-7-9-11-16/h7-14H,15H2,1-6H3
InChIKeyBAOLJWAAUVDPBY-UHFFFAOYSA-N
XLogP3.07
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.59
LogP ≤ 53.07
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

5-fluoro-5-methoxy-2-phenylcyclohexa-1,3-diene
CID 174457167
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol
CID 68743501
CID 172735714
CID 172735714
5-tert-butyl-5-chloro-2-phenylcyclohexa-1,3-diene
CID 175021722
5-bromo-5-tert-butyl-2-phenylcyclohexa-1,3-diene
CID 170991905
disodium;4-phenylcyclohexa-2,4-diene-1,1-disulfonate
CID 87814814
(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
CID 170991611
1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol
CID 175013604
1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 142770895
palladium;4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 174927454
1-amino-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 56924481

Frequently Asked Questions

What is the IUPAC name of trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane?
The IUPAC name of trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane (CID 137350344) is trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane.
What is the SMILES notation for trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane?
The canonical SMILES for trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane is CO[Si](OC)(OC)C1([Si](OC)(OC)OC)C=CC(c2ccccc2)=CC1.
What is the InChIKey of trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane?
The InChIKey is BAOLJWAAUVDPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6Si2/c1-19-25(20-2,21-3)18(26(22-4,23-5)24-6)14-12-17(13-15-18)16-10-8-7-9-11-16/h7-14H,15H2,1-6H3.
What are the key properties of trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane?
trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane has a molecular weight of 396.59 g/mol, XLogP of 3.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-(4-phenyl-1-trimethoxysilylcyclohexa-2,4-dien-1-yl)silane is sourced from PubChem (CID 137350344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).