trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane

C14H18O6Si2 — CID 70014607

IUPACtrihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane
SMILESO[Si](O)(O)C1([Si](O)(O)O)C=CC(C=Cc2ccccc2)=CC1
InChIInChI=1S/C14H18O6Si2/c15-21(16,17)14(22(18,19)20)10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-10,15-20H,11H2
InChIKeyDWQPMBRDUOZFCZ-UHFFFAOYSA-N
MW338.46 g/mol
LogP-0.30
Rot. Bonds4

About trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane

trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane (PubChem CID 70014607) has the molecular formula C14H18O6Si2 and a molecular weight of 338.46 g/mol. Its IUPAC name is trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane.

Molecular Properties

Compound Nametrihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane
PubChem CID70014607
Molecular FormulaC14H18O6Si2
Molecular Weight338.46 g/mol
Exact Mass338.06
IUPAC Nametrihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane
SMILESO[Si](O)(O)C1([Si](O)(O)O)C=CC(C=Cc2ccccc2)=CC1
InChIInChI=1S/C14H18O6Si2/c15-21(16,17)14(22(18,19)20)10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-10,15-20H,11H2
InChIKeyDWQPMBRDUOZFCZ-UHFFFAOYSA-N
XLogP-0.30
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.46
LogP ≤ 5-0.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dibenzyltetramethyldisiloxane
CID 74597
Triethoxy(p-tolyl)silane
CID 4670738
Benzyltriethoxysilane
CID 75690
Benzene, (2-(trimethoxysilyl)ethyl)-
CID 170789
Trimethoxy(p-tolyl)silane
CID 2760672
Benzyl(methoxy)dimethylsilane
CID 12749810
Trimethoxy(4-vinylphenyl)silane
CID 15606295
Silane, methoxydimethyl(4-methylphenyl)-
CID 142850
Dimethoxydi-p-tolylsilane
CID 11821755
Phenethyl disiloxane
CID 22287953
Silane, (phenylmethylene)bis(trimethyl-
CID 139789
Triethoxy(1-phenylethenyl)silane
CID 11196400

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane?
The IUPAC name of trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane (CID 70014607) is trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane.
What is the SMILES notation for trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane?
The canonical SMILES for trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane is O[Si](O)(O)C1([Si](O)(O)O)C=CC(C=Cc2ccccc2)=CC1.
What is the InChIKey of trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane?
The InChIKey is DWQPMBRDUOZFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6Si2/c15-21(16,17)14(22(18,19)20)10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-10,15-20H,11H2.
What are the key properties of trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane?
trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane has a molecular weight of 338.46 g/mol, XLogP of -0.30, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane is sourced from PubChem (CID 70014607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).