3-butyl-2-propyl-1H-indene

C16H22 — CID 141343467

IUPAC3-butyl-2-propyl-1H-indene
SMILESCCCCC1=C(CCC)Cc2ccccc21
InChIInChI=1S/C16H22/c1-3-5-10-15-13(8-4-2)12-14-9-6-7-11-16(14)15/h6-7,9,11H,3-5,8,10,12H2,1-2H3
InChIKeyWGNNLQKJRQZBGX-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.99
Rot. Bonds5

About 3-butyl-2-propyl-1H-indene

3-butyl-2-propyl-1H-indene (PubChem CID 141343467) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-butyl-2-propyl-1H-indene.

Molecular Properties

Compound Name3-butyl-2-propyl-1H-indene
PubChem CID141343467
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name3-butyl-2-propyl-1H-indene
SMILESCCCCC1=C(CCC)Cc2ccccc21
InChIInChI=1S/C16H22/c1-3-5-10-15-13(8-4-2)12-14-9-6-7-11-16(14)15/h6-7,9,11H,3-5,8,10,12H2,1-2H3
InChIKeyWGNNLQKJRQZBGX-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8,9-dibutyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
CID 102005238
3-butyl-2-methyl-1H-indene
CID 15422807
bis(3-butyl-1H-inden-2-yl)-dimethylsilane
CID 22395100
bis(9H-fluorene);pentane
CID 159146463
bis(9H-fluorene);methane;pentane
CID 158815702
9H-fluorene;henicosane
CID 174789372
3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173084970
(3-butyl-1H-inden-2-yl)-(diphosphanyl)-phosphanylphosphane
CID 20872070
2-(4-methylphenyl)-3-octyl-1H-indene
CID 21095685
1-(3-pentyl-1H-inden-2-yl)naphthalene
CID 173084421
3-propyl-2-(2-propylphenyl)-1H-indene
CID 173084830
1,2,3,4-tetrabutylcyclopenta-1,3-diene
CID 14094225

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-propyl-1H-indene?
The IUPAC name of 3-butyl-2-propyl-1H-indene (CID 141343467) is 3-butyl-2-propyl-1H-indene.
What is the SMILES notation for 3-butyl-2-propyl-1H-indene?
The canonical SMILES for 3-butyl-2-propyl-1H-indene is CCCCC1=C(CCC)Cc2ccccc21.
What is the InChIKey of 3-butyl-2-propyl-1H-indene?
The InChIKey is WGNNLQKJRQZBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-3-5-10-15-13(8-4-2)12-14-9-6-7-11-16(14)15/h6-7,9,11H,3-5,8,10,12H2,1-2H3.
What are the key properties of 3-butyl-2-propyl-1H-indene?
3-butyl-2-propyl-1H-indene has a molecular weight of 214.35 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-propyl-1H-indene is sourced from PubChem (CID 141343467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).