2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole

C16H28Si — CID 24938522

IUPAC2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole
SMILESCCCC1=C2CCCCC2=C(CCC)[Si]1(C)C
InChIInChI=1S/C16H28Si/c1-5-9-15-13-11-7-8-12-14(13)16(10-6-2)17(15,3)4/h5-12H2,1-4H3
InChIKeyPGEKDFMWNXALDR-UHFFFAOYSA-N
MW248.49 g/mol
LogP5.55
Rot. Bonds4

About 2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole

2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole (PubChem CID 24938522) has the molecular formula C16H28Si and a molecular weight of 248.49 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole
PubChem CID24938522
Molecular FormulaC16H28Si
Molecular Weight248.49 g/mol
Exact Mass248.20
IUPAC Name2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole
SMILESCCCC1=C2CCCCC2=C(CCC)[Si]1(C)C
InChIInChI=1S/C16H28Si/c1-5-9-15-13-11-7-8-12-14(13)16(10-6-2)17(15,3)4/h5-12H2,1-4H3
InChIKeyPGEKDFMWNXALDR-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.49
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 3456028
2-Cyclohexylidenepropyl(trimethyl)silane
CID 14433570
Bicyclo[4.3.0]nona-6,9-diene, 8-isobutenyl-7,8-bis(trimethylsilyl)-
CID 553834
CID 15913125
CID 15913125
tert-butyl-dimethyl-(4,5,6,7-tetrahydro-1H-inden-2-ylmethyl)silane
CID 17783006
dimethyl-bis(2-methyl-4,5,6,7-tetrahydro-3H-inden-1-yl)silane
CID 18443792
Cyclohexyl-bis(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methylsilane;zirconium(4+);dichloride
CID 23032031
ethyl-dimethyl-(4,5,6,7-tetrahydro-2H-inden-2-ylmethyl)silane
CID 56988201
[2-(2-Butylcyclopenta-1,3-dien-1-yl)-3-methylinden-4-ylidene]-dimethylsilane
CID 57021915
trimethyl(4,5,6,7-tetrahydro-2H-inden-2-ylmethyl)silane
CID 57101281
Dimethyl-[3-methyl-2-(2-methylcyclopenta-1,3-dien-1-yl)inden-4-ylidene]silane
CID 57261379
CID 58897751
CID 58897751

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole?
The IUPAC name of 2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole (CID 24938522) is 2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole.
What is the SMILES notation for 2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole?
The canonical SMILES for 2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole is CCCC1=C2CCCCC2=C(CCC)[Si]1(C)C.
What is the InChIKey of 2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole?
The InChIKey is PGEKDFMWNXALDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28Si/c1-5-9-15-13-11-7-8-12-14(13)16(10-6-2)17(15,3)4/h5-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole?
2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole has a molecular weight of 248.49 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dipropyl-4,5,6,7-tetrahydro-2-benzosilole is sourced from PubChem (CID 24938522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).