cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane

C19H26O2Si — CID 139803126

IUPACcyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane
SMILESCO[Si](OC)(C1C=CC(c2ccccc2)=C1)C1CCCCC1
InChIInChI=1S/C19H26O2Si/c1-20-22(21-2,18-11-7-4-8-12-18)19-14-13-17(15-19)16-9-5-3-6-10-16/h3,5-6,9-10,13-15,18-19H,4,7-8,11-12H2,1-2H3
InChIKeySWZIHCOXGDSXNG-UHFFFAOYSA-N
MW314.50 g/mol
LogP5.08
Rot. Bonds5

About cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane

cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 139803126) has the molecular formula C19H26O2Si and a molecular weight of 314.50 g/mol. Its IUPAC name is cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namecyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane
PubChem CID139803126
Molecular FormulaC19H26O2Si
Molecular Weight314.50 g/mol
Exact Mass314.17
IUPAC Namecyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane
SMILESCO[Si](OC)(C1C=CC(c2ccccc2)=C1)C1CCCCC1
InChIInChI=1S/C19H26O2Si/c1-20-22(21-2,18-11-7-4-8-12-18)19-14-13-17(15-19)16-9-5-3-6-10-16/h3,5-6,9-10,13-15,18-19H,4,7-8,11-12H2,1-2H3
InChIKeySWZIHCOXGDSXNG-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane (CID 139803126) is cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane is CO[Si](OC)(C1C=CC(c2ccccc2)=C1)C1CCCCC1.
What is the InChIKey of cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is SWZIHCOXGDSXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2Si/c1-20-22(21-2,18-11-7-4-8-12-18)19-14-13-17(15-19)16-9-5-3-6-10-16/h3,5-6,9-10,13-15,18-19H,4,7-8,11-12H2,1-2H3.
What are the key properties of cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane?
cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 314.50 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 139803126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).