(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane

C32H46OSi — CID 162292566

IUPAC(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane
SMILESCC[Si](CC)(c1cccc(C(C)C)c1OC(C)(C)C)C1C(C)C(C)C2c3ccccc3C=CC21
InChIInChI=1S/C32H46OSi/c1-10-34(11-2,28-18-14-17-25(21(3)4)30(28)33-32(7,8)9)31-23(6)22(5)29-26-16-13-12-15-24(26)19-20-27(29)31/h12-23,27,29,31H,10-11H2,1-9H3
InChIKeyWDYNGOCUEOOUTR-UHFFFAOYSA-N
MW474.81 g/mol
LogP8.77
Rot. Bonds6

About (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane

(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane (PubChem CID 162292566) has the molecular formula C32H46OSi and a molecular weight of 474.81 g/mol. Its IUPAC name is (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane.

Molecular Properties

Compound Name(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane
PubChem CID162292566
Molecular FormulaC32H46OSi
Molecular Weight474.81 g/mol
Exact Mass474.33
IUPAC Name(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane
SMILESCC[Si](CC)(c1cccc(C(C)C)c1OC(C)(C)C)C1C(C)C(C)C2c3ccccc3C=CC21
InChIInChI=1S/C32H46OSi/c1-10-34(11-2,28-18-14-17-25(21(3)4)30(28)33-32(7,8)9)31-23(6)22(5)29-26-16-13-12-15-24(26)19-20-27(29)31/h12-23,27,29,31H,10-11H2,1-9H3
InChIKeyWDYNGOCUEOOUTR-UHFFFAOYSA-N
XLogP8.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.81
LogP ≤ 58.77
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 (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane?
The IUPAC name of (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane (CID 162292566) is (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane.
What is the SMILES notation for (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane?
The canonical SMILES for (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane is CC[Si](CC)(c1cccc(C(C)C)c1OC(C)(C)C)C1C(C)C(C)C2c3ccccc3C=CC21.
What is the InChIKey of (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane?
The InChIKey is WDYNGOCUEOOUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46OSi/c1-10-34(11-2,28-18-14-17-25(21(3)4)30(28)33-32(7,8)9)31-23(6)22(5)29-26-16-13-12-15-24(26)19-20-27(29)31/h12-23,27,29,31H,10-11H2,1-9H3.
What are the key properties of (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane?
(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane has a molecular weight of 474.81 g/mol, XLogP of 8.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane is sourced from PubChem (CID 162292566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).