2-cyclohexyl-4-hex-5-enyl-1H-indene

C21H28 — CID 173192879

IUPAC2-cyclohexyl-4-hex-5-enyl-1H-indene
SMILESC=CCCCCc1cccc2c1C=C(C1CCCCC1)C2
InChIInChI=1S/C21H28/c1-2-3-4-6-12-18-13-9-14-19-15-20(16-21(18)19)17-10-7-5-8-11-17/h2,9,13-14,16-17H,1,3-8,10-12,15H2
InChIKeyIXNAFINWHNFXNS-UHFFFAOYSA-N
MW280.45 g/mol
LogP6.11
Rot. Bonds6

About 2-cyclohexyl-4-hex-5-enyl-1H-indene

2-cyclohexyl-4-hex-5-enyl-1H-indene (PubChem CID 173192879) has the molecular formula C21H28 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-cyclohexyl-4-hex-5-enyl-1H-indene.

Molecular Properties

Compound Name2-cyclohexyl-4-hex-5-enyl-1H-indene
PubChem CID173192879
Molecular FormulaC21H28
Molecular Weight280.45 g/mol
Exact Mass280.22
IUPAC Name2-cyclohexyl-4-hex-5-enyl-1H-indene
SMILESC=CCCCCc1cccc2c1C=C(C1CCCCC1)C2
InChIInChI=1S/C21H28/c1-2-3-4-6-12-18-13-9-14-19-15-20(16-21(18)19)17-10-7-5-8-11-17/h2,9,13-14,16-17H,1,3-8,10-12,15H2
InChIKeyIXNAFINWHNFXNS-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-hex-5-enyl-1H-indene?
The IUPAC name of 2-cyclohexyl-4-hex-5-enyl-1H-indene (CID 173192879) is 2-cyclohexyl-4-hex-5-enyl-1H-indene.
What is the SMILES notation for 2-cyclohexyl-4-hex-5-enyl-1H-indene?
The canonical SMILES for 2-cyclohexyl-4-hex-5-enyl-1H-indene is C=CCCCCc1cccc2c1C=C(C1CCCCC1)C2.
What is the InChIKey of 2-cyclohexyl-4-hex-5-enyl-1H-indene?
The InChIKey is IXNAFINWHNFXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-2-3-4-6-12-18-13-9-14-19-15-20(16-21(18)19)17-10-7-5-8-11-17/h2,9,13-14,16-17H,1,3-8,10-12,15H2.
What are the key properties of 2-cyclohexyl-4-hex-5-enyl-1H-indene?
2-cyclohexyl-4-hex-5-enyl-1H-indene has a molecular weight of 280.45 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-hex-5-enyl-1H-indene is sourced from PubChem (CID 173192879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).