2-butyl-4-hex-1-enyl-1H-indene

C19H26 — CID 173192519

IUPAC2-butyl-4-hex-1-enyl-1H-indene
SMILESCCCCC=Cc1cccc2c1C=C(CCCC)C2
InChIInChI=1S/C19H26/c1-3-5-7-8-11-17-12-9-13-18-14-16(10-6-4-2)15-19(17)18/h8-9,11-13,15H,3-7,10,14H2,1-2H3
InChIKeyCHSFFCOOLBIGTK-UHFFFAOYSA-N
MW254.42 g/mol
LogP6.02
Rot. Bonds7

About 2-butyl-4-hex-1-enyl-1H-indene

2-butyl-4-hex-1-enyl-1H-indene (PubChem CID 173192519) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-butyl-4-hex-1-enyl-1H-indene.

Molecular Properties

Compound Name2-butyl-4-hex-1-enyl-1H-indene
PubChem CID173192519
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name2-butyl-4-hex-1-enyl-1H-indene
SMILESCCCCC=Cc1cccc2c1C=C(CCCC)C2
InChIInChI=1S/C19H26/c1-3-5-7-8-11-17-12-9-13-18-14-16(10-6-4-2)15-19(17)18/h8-9,11-13,15H,3-7,10,14H2,1-2H3
InChIKeyCHSFFCOOLBIGTK-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-4-(2-phenylphenyl)-1H-indene
CID 154024612
1-[(E)-hex-1-enyl]-2-methylbenzene
CID 143283238
2-(2-butyl-1H-inden-4-yl)-1,3-oxazole
CID 173192643
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887
2-butyl-5-propan-2-yl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703016
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
2-butyl-4-(3,5-dimethylphenyl)-5-ethyl-1H-indene
CID 87703373
6,18-bis[(E)-hept-1-enyl]pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159418780
2-butyl-5-tert-butyl-4-(2-ethylphenyl)-1H-indene
CID 87703297
2-pentyl-1H-phenalene
CID 175230709
1-[(E)-dec-1-enyl]naphthalene
CID 11807631

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-hex-1-enyl-1H-indene?
The IUPAC name of 2-butyl-4-hex-1-enyl-1H-indene (CID 173192519) is 2-butyl-4-hex-1-enyl-1H-indene.
What is the SMILES notation for 2-butyl-4-hex-1-enyl-1H-indene?
The canonical SMILES for 2-butyl-4-hex-1-enyl-1H-indene is CCCCC=Cc1cccc2c1C=C(CCCC)C2.
What is the InChIKey of 2-butyl-4-hex-1-enyl-1H-indene?
The InChIKey is CHSFFCOOLBIGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26/c1-3-5-7-8-11-17-12-9-13-18-14-16(10-6-4-2)15-19(17)18/h8-9,11-13,15H,3-7,10,14H2,1-2H3.
What are the key properties of 2-butyl-4-hex-1-enyl-1H-indene?
2-butyl-4-hex-1-enyl-1H-indene has a molecular weight of 254.42 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-hex-1-enyl-1H-indene is sourced from PubChem (CID 173192519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).