(4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane

C19H31NSi — CID 162980446

IUPAC(4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane
SMILESCC12CCCCC1N([Si](C)(C)C(C)(C)C)c1ccccc12
InChIInChI=1S/C19H31NSi/c1-18(2,3)21(5,6)20-16-12-8-7-11-15(16)19(4)14-10-9-13-17(19)20/h7-8,11-12,17H,9-10,13-14H2,1-6H3
InChIKeyOLMHIBRDQFXVLW-UHFFFAOYSA-N
MW301.55 g/mol
LogP5.71
Rot. Bonds1

About (4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane

(4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane (PubChem CID 162980446) has the molecular formula C19H31NSi and a molecular weight of 301.55 g/mol. Its IUPAC name is (4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane
PubChem CID162980446
Molecular FormulaC19H31NSi
Molecular Weight301.55 g/mol
Exact Mass301.22
IUPAC Name(4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane
SMILESCC12CCCCC1N([Si](C)(C)C(C)(C)C)c1ccccc12
InChIInChI=1S/C19H31NSi/c1-18(2,3)21(5,6)20-16-12-8-7-11-15(16)19(4)14-10-9-13-17(19)20/h7-8,11-12,17H,9-10,13-14H2,1-6H3
InChIKeyOLMHIBRDQFXVLW-UHFFFAOYSA-N
XLogP5.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.55
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane with MolForge

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Related Compounds

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[(4aS,9aS)-4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl]-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanone
CID 129353467
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Frequently Asked Questions

What is the IUPAC name of (4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane?
The IUPAC name of (4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane (CID 162980446) is (4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane.
What is the SMILES notation for (4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane?
The canonical SMILES for (4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane is CC12CCCCC1N([Si](C)(C)C(C)(C)C)c1ccccc12.
What is the InChIKey of (4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane?
The InChIKey is OLMHIBRDQFXVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NSi/c1-18(2,3)21(5,6)20-16-12-8-7-11-15(16)19(4)14-10-9-13-17(19)20/h7-8,11-12,17H,9-10,13-14H2,1-6H3.
What are the key properties of (4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane?
(4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane has a molecular weight of 301.55 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane is sourced from PubChem (CID 162980446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).