(3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane

C28H51NSi — CID 59164897

IUPAC(3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane
SMILESCCCCC1CCC([Si](C)(C)C2C3CCCCC3C3C2C2CC(C)CCC2N3C)C1
InChIInChI=1S/C28H51NSi/c1-6-7-10-20-14-15-21(18-20)30(4,5)28-23-12-9-8-11-22(23)27-26(28)24-17-19(2)13-16-25(24)29(27)3/h19-28H,6-18H2,1-5H3
InChIKeyHJIOYYXKNZSYPA-UHFFFAOYSA-N
MW429.81 g/mol
LogP7.98
Rot. Bonds5

About (3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane

(3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane (PubChem CID 59164897) has the molecular formula C28H51NSi and a molecular weight of 429.81 g/mol. Its IUPAC name is (3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane.

Molecular Properties

Compound Name(3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane
PubChem CID59164897
Molecular FormulaC28H51NSi
Molecular Weight429.81 g/mol
Exact Mass429.38
IUPAC Name(3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane
SMILESCCCCC1CCC([Si](C)(C)C2C3CCCCC3C3C2C2CC(C)CCC2N3C)C1
InChIInChI=1S/C28H51NSi/c1-6-7-10-20-14-15-21(18-20)30(4,5)28-23-12-9-8-11-22(23)27-26(28)24-17-19(2)13-16-25(24)29(27)3/h19-28H,6-18H2,1-5H3
InChIKeyHJIOYYXKNZSYPA-UHFFFAOYSA-N
XLogP7.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.81
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl-(2-fluoro-5-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilane
CID 59164904
cyclopentyl-[5-(4-fluorocyclohexyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-dimethylsilane
CID 59164906
10-(1-cyclopentylsilolan-1-yl)-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
CID 57608961
dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-(2,3,4,5-tetramethylcyclopentyl)silane
CID 57972468
tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane
CID 58582252
tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;bis(dimethylazanide);titanium(4+)
CID 58594395
N-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]-2-methylpropan-2-amine
CID 58594396
carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+)
CID 58594397
tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+)
CID 58594399
cyclopentyl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane
CID 58792412
5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
CID 58792413
carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane
CID 58885691

Frequently Asked Questions

What is the IUPAC name of (3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane?
The IUPAC name of (3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane (CID 59164897) is (3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane.
What is the SMILES notation for (3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane?
The canonical SMILES for (3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane is CCCCC1CCC([Si](C)(C)C2C3CCCCC3C3C2C2CC(C)CCC2N3C)C1.
What is the InChIKey of (3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane?
The InChIKey is HJIOYYXKNZSYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51NSi/c1-6-7-10-20-14-15-21(18-20)30(4,5)28-23-12-9-8-11-22(23)27-26(28)24-17-19(2)13-16-25(24)29(27)3/h19-28H,6-18H2,1-5H3.
What are the key properties of (3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane?
(3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane has a molecular weight of 429.81 g/mol, XLogP of 7.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butylcyclopentyl)-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane is sourced from PubChem (CID 59164897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).