[3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane

C34H50OSi — CID 162286237

IUPAC[3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane
SMILESCCc1cc(C(C)(C)C)c(OC(C)(C)C)c([Si](CC)(CC)C2C(C)CC3c4ccccc4C=CC32)c1
InChIInChI=1S/C34H50OSi/c1-11-24-21-29(33(5,6)7)31(35-34(8,9)10)30(22-24)36(12-2,13-3)32-23(4)20-28-26-17-15-14-16-25(26)18-19-27(28)32/h14-19,21-23,27-28,32H,11-13,20H2,1-10H3
InChIKeyDRKNFHPRCCYIDK-UHFFFAOYSA-N
MW502.86 g/mol
LogP9.26
Rot. Bonds6

About [3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane

[3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane (PubChem CID 162286237) has the molecular formula C34H50OSi and a molecular weight of 502.86 g/mol. Its IUPAC name is [3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane.

Molecular Properties

Compound Name[3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane
PubChem CID162286237
Molecular FormulaC34H50OSi
Molecular Weight502.86 g/mol
Exact Mass502.36
IUPAC Name[3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane
SMILESCCc1cc(C(C)(C)C)c(OC(C)(C)C)c([Si](CC)(CC)C2C(C)CC3c4ccccc4C=CC32)c1
InChIInChI=1S/C34H50OSi/c1-11-24-21-29(33(5,6)7)31(35-34(8,9)10)30(22-24)36(12-2,13-3)32-23(4)20-28-26-17-15-14-16-25(26)18-19-27(28)32/h14-19,21-23,27-28,32H,11-13,20H2,1-10H3
InChIKeyDRKNFHPRCCYIDK-UHFFFAOYSA-N
XLogP9.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.86
LogP ≤ 59.26
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 [3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane?
The IUPAC name of [3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane (CID 162286237) is [3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane.
What is the SMILES notation for [3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane?
The canonical SMILES for [3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane is CCc1cc(C(C)(C)C)c(OC(C)(C)C)c([Si](CC)(CC)C2C(C)CC3c4ccccc4C=CC32)c1.
What is the InChIKey of [3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane?
The InChIKey is DRKNFHPRCCYIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50OSi/c1-11-24-21-29(33(5,6)7)31(35-34(8,9)10)30(22-24)36(12-2,13-3)32-23(4)20-28-26-17-15-14-16-25(26)18-19-27(28)32/h14-19,21-23,27-28,32H,11-13,20H2,1-10H3.
What are the key properties of [3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane?
[3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane has a molecular weight of 502.86 g/mol, XLogP of 9.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane is sourced from PubChem (CID 162286237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).