triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane

C18H32OSi — CID 14936190

IUPACtriethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane
SMILESCC[Si](CC)(CC)OC12CCCC=C(C)C1=CCCC2
InChIInChI=1S/C18H32OSi/c1-5-20(6-2,7-3)19-18-14-10-8-12-16(4)17(18)13-9-11-15-18/h12-13H,5-11,14-15H2,1-4H3
InChIKeyJXVLTBPOAFONPY-UHFFFAOYSA-N
MW292.54 g/mol
LogP5.99
Rot. Bonds5

About triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane

triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane (PubChem CID 14936190) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane.

Molecular Properties

Compound Nametriethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane
PubChem CID14936190
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Nametriethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane
SMILESCC[Si](CC)(CC)OC12CCCC=C(C)C1=CCCC2
InChIInChI=1S/C18H32OSi/c1-5-20(6-2,7-3)19-18-14-10-8-12-16(4)17(18)13-9-11-15-18/h12-13H,5-11,14-15H2,1-4H3
InChIKeyJXVLTBPOAFONPY-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane?
The IUPAC name of triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane (CID 14936190) is triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane.
What is the SMILES notation for triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane?
The canonical SMILES for triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane is CC[Si](CC)(CC)OC12CCCC=C(C)C1=CCCC2.
What is the InChIKey of triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane?
The InChIKey is JXVLTBPOAFONPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-5-20(6-2,7-3)19-18-14-10-8-12-16(4)17(18)13-9-11-15-18/h12-13H,5-11,14-15H2,1-4H3.
What are the key properties of triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane?
triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane has a molecular weight of 292.54 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(5-methyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane is sourced from PubChem (CID 14936190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).