anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane

C22H22Si — CID 123817246

IUPACanthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=CCC([Si](C)(C)c2c3ccccc3cc3ccccc23)=C1
InChIInChI=1S/C22H22Si/c1-16-12-13-19(14-16)23(2,3)22-20-10-6-4-8-17(20)15-18-9-5-7-11-21(18)22/h4-12,14-15H,13H2,1-3H3
InChIKeyOSPGNGGPOHCQQB-UHFFFAOYSA-N
MW314.50 g/mol
LogP5.72
Rot. Bonds2

About anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane

anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 123817246) has the molecular formula C22H22Si and a molecular weight of 314.50 g/mol. Its IUPAC name is anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nameanthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane
PubChem CID123817246
Molecular FormulaC22H22Si
Molecular Weight314.50 g/mol
Exact Mass314.15
IUPAC Nameanthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane
SMILESCC1=CCC([Si](C)(C)c2c3ccccc3cc3ccccc23)=C1
InChIInChI=1S/C22H22Si/c1-16-12-13-19(14-16)23(2,3)22-20-10-6-4-8-17(20)15-18-9-5-7-11-21(18)22/h4-12,14-15H,13H2,1-3H3
InChIKeyOSPGNGGPOHCQQB-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.50
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

di(anthracen-9-yl)-dimethoxysilane
CID 88898319
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
lithium;hydride;9-methylanthracene
CID 174773747
ethane;9-methylanthracene;naphthalene
CID 161226057
anthracen-1-yl-methoxy-dimethylsilane
CID 141440937
2,4-di(anthracen-9-yl)-6-methyl-1,3,5-triazine
CID 131973884
9-anthracen-9-ylanthracene;toluene
CID 86148014
[diacetyloxy(anthracen-9-yl)silyl] acetate
CID 175144340
1-methoxy-3-methylisoquinoline
CID 66489764
9-propan-2-yloxyanthracene
CID 13287348
2,4,6-tri(anthracen-9-yl)-1,3,5-triazine
CID 59336460

Frequently Asked Questions

What is the IUPAC name of anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane (CID 123817246) is anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane is CC1=CCC([Si](C)(C)c2c3ccccc3cc3ccccc23)=C1.
What is the InChIKey of anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is OSPGNGGPOHCQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Si/c1-16-12-13-19(14-16)23(2,3)22-20-10-6-4-8-17(20)15-18-9-5-7-11-21(18)22/h4-12,14-15H,13H2,1-3H3.
What are the key properties of anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane?
anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 314.50 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yl-dimethyl-(3-methylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 123817246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).