3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane

C49H73ClSi2 — CID 158557554

IUPAC3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane
SMILESC.CC1=C(C)C([Si](C)(C)Cl)C(C)=C1C.CCCCC1=CC([Si](C)(C)C2C(C)=C(C)C(C)=C2C)c2ccccc21.CCCCC1=CCc2ccccc21
InChIInChI=1S/C24H34Si.C13H16.C11H19ClSi.CH4/c1-8-9-12-20-15-23(22-14-11-10-13-21(20)22)25(6,7)24-18(4)16(2)17(3)19(24)5;1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;1-7-8(2)10(4)11(9(7)3)13(5,6)12;/h10-11,13-15,23-24H,8-9,12H2,1-7H3;4-5,7-9H,2-3,6,10H2,1H3;11H,1-6H3;1H4
InChIKeyHQMBAYRJJJMATF-UHFFFAOYSA-N
MW753.75 g/mol
LogP16.60
Rot. Bonds9

About 3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane

3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane (PubChem CID 158557554) has the molecular formula C49H73ClSi2 and a molecular weight of 753.75 g/mol. Its IUPAC name is 3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane.

Molecular Properties

Compound Name3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane
PubChem CID158557554
Molecular FormulaC49H73ClSi2
Molecular Weight753.75 g/mol
Exact Mass752.49
IUPAC Name3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane
SMILESC.CC1=C(C)C([Si](C)(C)Cl)C(C)=C1C.CCCCC1=CC([Si](C)(C)C2C(C)=C(C)C(C)=C2C)c2ccccc21.CCCCC1=CCc2ccccc21
InChIInChI=1S/C24H34Si.C13H16.C11H19ClSi.CH4/c1-8-9-12-20-15-23(22-14-11-10-13-21(20)22)25(6,7)24-18(4)16(2)17(3)19(24)5;1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;1-7-8(2)10(4)11(9(7)3)13(5,6)12;/h10-11,13-15,23-24H,8-9,12H2,1-7H3;4-5,7-9H,2-3,6,10H2,1H3;11H,1-6H3;1H4
InChIKeyHQMBAYRJJJMATF-UHFFFAOYSA-N
XLogP16.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.75
LogP ≤ 516.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane with MolForge

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Related Compounds

dimethyl-(3-propyl-1H-inden-1-yl)-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane
CID 153307789
dichlorozirconium;3-propyl-1H-indene
CID 175084745
3-butyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)sulfanyl-1H-indene
CID 139502762
dimethyl-(2-methyl-3-propyl-1H-inden-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 158268305
3-butyl-1H-phenalene
CID 174644054
3-(2-cyclopropylethyl)-1H-indene
CID 163857034
diethyl-(3-methyl-1H-inden-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 153307768
3H-2-benzofuran-1-one;3-propyl-1H-indene
CID 175475170
(3-ethyl-1H-inden-1-yl)-trimethylsilane
CID 135047164
2-[4-(3H-inden-1-yl)butyl]pyridine
CID 22758135
butyl 3-(3H-inden-1-yl)propanoate
CID 22758162
2-(3H-inden-1-yl)-N-methylethanamine
CID 58164560

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane?
The IUPAC name of 3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane (CID 158557554) is 3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane.
What is the SMILES notation for 3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane?
The canonical SMILES for 3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane is C.CC1=C(C)C([Si](C)(C)Cl)C(C)=C1C.CCCCC1=CC([Si](C)(C)C2C(C)=C(C)C(C)=C2C)c2ccccc21.CCCCC1=CCc2ccccc21.
What is the InChIKey of 3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane?
The InChIKey is HQMBAYRJJJMATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34Si.C13H16.C11H19ClSi.CH4/c1-8-9-12-20-15-23(22-14-11-10-13-21(20)22)25(6,7)24-18(4)16(2)17(3)19(24)5;1-2-3-6-11-9-10-12-7-4-5-8-13(11)12;1-7-8(2)10(4)11(9(7)3)13(5,6)12;/h10-11,13-15,23-24H,8-9,12H2,1-7H3;4-5,7-9H,2-3,6,10H2,1H3;11H,1-6H3;1H4.
What are the key properties of 3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane?
3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane has a molecular weight of 753.75 g/mol, XLogP of 16.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1H-indene;(3-butyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;chloro-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;methane is sourced from PubChem (CID 158557554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).