(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane

C30H41FOSi — CID 162292536

IUPAC(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane
SMILESCC(C)c1cc(F)cc([Si](C)(C)C2C(C)C(C)C3c4ccccc4C=CC32)c1OC(C)(C)C
InChIInChI=1S/C30H41FOSi/c1-18(2)25-16-22(31)17-26(28(25)32-30(5,6)7)33(8,9)29-20(4)19(3)27-23-13-11-10-12-21(23)14-15-24(27)29/h10-20,24,27,29H,1-9H3
InChIKeyGMYIUEXIMFRDRA-UHFFFAOYSA-N
MW464.74 g/mol
LogP8.12
Rot. Bonds4

About (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane

(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane (PubChem CID 162292536) has the molecular formula C30H41FOSi and a molecular weight of 464.74 g/mol. Its IUPAC name is (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane.

Molecular Properties

Compound Name(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane
PubChem CID162292536
Molecular FormulaC30H41FOSi
Molecular Weight464.74 g/mol
Exact Mass464.29
IUPAC Name(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane
SMILESCC(C)c1cc(F)cc([Si](C)(C)C2C(C)C(C)C3c4ccccc4C=CC32)c1OC(C)(C)C
InChIInChI=1S/C30H41FOSi/c1-18(2)25-16-22(31)17-26(28(25)32-30(5,6)7)33(8,9)29-20(4)19(3)27-23-13-11-10-12-21(23)14-15-24(27)29/h10-20,24,27,29H,1-9H3
InChIKeyGMYIUEXIMFRDRA-UHFFFAOYSA-N
XLogP8.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.74
LogP ≤ 58.12
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)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane?
The IUPAC name of (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane (CID 162292536) is (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane.
What is the SMILES notation for (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane?
The canonical SMILES for (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane is CC(C)c1cc(F)cc([Si](C)(C)C2C(C)C(C)C3c4ccccc4C=CC32)c1OC(C)(C)C.
What is the InChIKey of (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane?
The InChIKey is GMYIUEXIMFRDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41FOSi/c1-18(2)25-16-22(31)17-26(28(25)32-30(5,6)7)33(8,9)29-20(4)19(3)27-23-13-11-10-12-21(23)14-15-24(27)29/h10-20,24,27,29H,1-9H3.
What are the key properties of (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane?
(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane has a molecular weight of 464.74 g/mol, XLogP of 8.12, 4 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)-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]-dimethylsilane is sourced from PubChem (CID 162292536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).