5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

C16H24 — CID 58420594

IUPAC5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCCCCCC1CCCCc2ccccc21
InChIInChI=1S/C16H24/c1-2-3-4-9-14-10-5-6-11-15-12-7-8-13-16(14)15/h7-8,12-14H,2-6,9-11H2,1H3
InChIKeyGGZOAISTOAXUIB-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.08
Rot. Bonds4

About 5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 58420594) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID58420594
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCCCCCC1CCCCc2ccccc21
InChIInChI=1S/C16H24/c1-2-3-4-9-14-10-5-6-11-15-12-7-8-13-16(14)15/h7-8,12-14H,2-6,9-11H2,1H3
InChIKeyGGZOAISTOAXUIB-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.08
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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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of 5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 58420594) is 5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for 5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for 5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is CCCCCC1CCCCc2ccccc21.
What is the InChIKey of 5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is GGZOAISTOAXUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-2-3-4-9-14-10-5-6-11-15-12-7-8-13-16(14)15/h7-8,12-14H,2-6,9-11H2,1H3.
What are the key properties of 5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 216.37 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 58420594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).