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

C33H48OSi — CID 162292552

IUPAC(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[5-methyl-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane
SMILESCC[Si](CC)(c1cc(C)cc(C(C)C)c1OC(C)(C)C)C1C(C)C(C)C2c3ccccc3C=CC21
InChIInChI=1S/C33H48OSi/c1-11-35(12-2,29-20-22(5)19-28(21(3)4)31(29)34-33(8,9)10)32-24(7)23(6)30-26-16-14-13-15-25(26)17-18-27(30)32/h13-21,23-24,27,30,32H,11-12H2,1-10H3
InChIKeyYTMSDWNDTUHHPI-UHFFFAOYSA-N
MW488.83 g/mol
LogP9.07
Rot. Bonds6

About (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[5-methyl-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-[5-methyl-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane (PubChem CID 162292552) has the molecular formula C33H48OSi and a molecular weight of 488.83 g/mol. Its IUPAC name is (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[5-methyl-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-[5-methyl-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane
PubChem CID162292552
Molecular FormulaC33H48OSi
Molecular Weight488.83 g/mol
Exact Mass488.35
IUPAC Name(1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[5-methyl-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane
SMILESCC[Si](CC)(c1cc(C)cc(C(C)C)c1OC(C)(C)C)C1C(C)C(C)C2c3ccccc3C=CC21
InChIInChI=1S/C33H48OSi/c1-11-35(12-2,29-20-22(5)19-28(21(3)4)31(29)34-33(8,9)10)32-24(7)23(6)30-26-16-14-13-15-25(26)17-18-27(30)32/h13-21,23-24,27,30,32H,11-12H2,1-10H3
InChIKeyYTMSDWNDTUHHPI-UHFFFAOYSA-N
XLogP9.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.83
LogP ≤ 59.07
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-[5-methyl-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-[5-methyl-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane (CID 162292552) is (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[5-methyl-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-[5-methyl-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-[5-methyl-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane is CC[Si](CC)(c1cc(C)cc(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-[5-methyl-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane?
The InChIKey is YTMSDWNDTUHHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48OSi/c1-11-35(12-2,29-20-22(5)19-28(21(3)4)31(29)34-33(8,9)10)32-24(7)23(6)30-26-16-14-13-15-25(26)17-18-27(30)32/h13-21,23-24,27,30,32H,11-12H2,1-10H3.
What are the key properties of (1,2-dimethyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)-diethyl-[5-methyl-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-[5-methyl-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane has a molecular weight of 488.83 g/mol, XLogP of 9.07, 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-[5-methyl-2-[(2-methylpropan-2-yl)oxy]-3-propan-2-ylphenyl]silane is sourced from PubChem (CID 162292552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).