(1E)-1-hexylideneindene

C15H18 — CID 173434056

IUPAC(1E)-1-hexylideneindene
SMILESCCCCC/C=C1\C=Cc2ccccc21
InChIInChI=1S/C15H18/c1-2-3-4-5-8-13-11-12-14-9-6-7-10-15(13)14/h6-12H,2-5H2,1H3/b13-8+
InChIKeyTVJSLYNLXWNYSC-MDWZMJQESA-N
MW198.31 g/mol
LogP4.68
Rot. Bonds4

About (1E)-1-hexylideneindene

(1E)-1-hexylideneindene (PubChem CID 173434056) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is (1E)-1-hexylideneindene.

Molecular Properties

Compound Name(1E)-1-hexylideneindene
PubChem CID173434056
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name(1E)-1-hexylideneindene
SMILESCCCCC/C=C1\C=Cc2ccccc21
InChIInChI=1S/C15H18/c1-2-3-4-5-8-13-11-12-14-9-6-7-10-15(13)14/h6-12H,2-5H2,1H3/b13-8+
InChIKeyTVJSLYNLXWNYSC-MDWZMJQESA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.68
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

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(3E)-3-hexylidene-1H-2-benzofuran
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1-chloropentane;naphthalene-1,2-dione
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2-octan-4-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
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CID 21139902
2-(3-bromopropylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 22998984
1-hexyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
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1-octyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
CID 22990752
11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 102290615
dodec-4-enylbenzene
CID 54018856

Frequently Asked Questions

What is the IUPAC name of (1E)-1-hexylideneindene?
The IUPAC name of (1E)-1-hexylideneindene (CID 173434056) is (1E)-1-hexylideneindene.
What is the SMILES notation for (1E)-1-hexylideneindene?
The canonical SMILES for (1E)-1-hexylideneindene is CCCCC/C=C1\C=Cc2ccccc21.
What is the InChIKey of (1E)-1-hexylideneindene?
The InChIKey is TVJSLYNLXWNYSC-MDWZMJQESA-N. The full InChI is InChI=1S/C15H18/c1-2-3-4-5-8-13-11-12-14-9-6-7-10-15(13)14/h6-12H,2-5H2,1H3/b13-8+.
What are the key properties of (1E)-1-hexylideneindene?
(1E)-1-hexylideneindene has a molecular weight of 198.31 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-hexylideneindene is sourced from PubChem (CID 173434056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).