2-butylselanyl-1,1,3,3-tetramethyl-2H-indene

C17H26Se — CID 13212210

IUPAC2-butylselanyl-1,1,3,3-tetramethyl-2H-indene
SMILESCCCC[Se]C1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C17H26Se/c1-6-7-12-18-15-16(2,3)13-10-8-9-11-14(13)17(15,4)5/h8-11,15H,6-7,12H2,1-5H3
InChIKeyNSOBQVIGWODZDJ-UHFFFAOYSA-N
MW309.36 g/mol
LogP4.97
Rot. Bonds4

About 2-butylselanyl-1,1,3,3-tetramethyl-2H-indene

2-butylselanyl-1,1,3,3-tetramethyl-2H-indene (PubChem CID 13212210) has the molecular formula C17H26Se and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-butylselanyl-1,1,3,3-tetramethyl-2H-indene.

Molecular Properties

Compound Name2-butylselanyl-1,1,3,3-tetramethyl-2H-indene
PubChem CID13212210
Molecular FormulaC17H26Se
Molecular Weight309.36 g/mol
Exact Mass310.12
IUPAC Name2-butylselanyl-1,1,3,3-tetramethyl-2H-indene
SMILESCCCC[Se]C1C(C)(C)c2ccccc2C1(C)C
InChIInChI=1S/C17H26Se/c1-6-7-12-18-15-16(2,3)13-10-8-9-11-14(13)17(15,4)5/h8-11,15H,6-7,12H2,1-5H3
InChIKeyNSOBQVIGWODZDJ-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane
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1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]
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(2S,3R)-2-ethyl-3-methyl-2H-1-benzofuran-3-ol
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9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
1-(2,3,3-trimethyl-2H-indol-1-yl)hexan-1-ol;hydrobromide
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CID 59773729

Frequently Asked Questions

What is the IUPAC name of 2-butylselanyl-1,1,3,3-tetramethyl-2H-indene?
The IUPAC name of 2-butylselanyl-1,1,3,3-tetramethyl-2H-indene (CID 13212210) is 2-butylselanyl-1,1,3,3-tetramethyl-2H-indene.
What is the SMILES notation for 2-butylselanyl-1,1,3,3-tetramethyl-2H-indene?
The canonical SMILES for 2-butylselanyl-1,1,3,3-tetramethyl-2H-indene is CCCC[Se]C1C(C)(C)c2ccccc2C1(C)C.
What is the InChIKey of 2-butylselanyl-1,1,3,3-tetramethyl-2H-indene?
The InChIKey is NSOBQVIGWODZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Se/c1-6-7-12-18-15-16(2,3)13-10-8-9-11-14(13)17(15,4)5/h8-11,15H,6-7,12H2,1-5H3.
What are the key properties of 2-butylselanyl-1,1,3,3-tetramethyl-2H-indene?
2-butylselanyl-1,1,3,3-tetramethyl-2H-indene has a molecular weight of 309.36 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylselanyl-1,1,3,3-tetramethyl-2H-indene is sourced from PubChem (CID 13212210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).