2-ethyl-8,9-dihydro-5H-benzo[7]annulene

C13H16 — CID 139900760

IUPAC2-ethyl-8,9-dihydro-5H-benzo[7]annulene
SMILESCCc1ccc2c(c1)CCC=CC2
InChIInChI=1S/C13H16/c1-2-11-8-9-12-6-4-3-5-7-13(12)10-11/h3-4,8-10H,2,5-7H2,1H3
InChIKeyQYWOIPUPOUNLQE-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.29
Rot. Bonds1

About 2-ethyl-8,9-dihydro-5H-benzo[7]annulene

2-ethyl-8,9-dihydro-5H-benzo[7]annulene (PubChem CID 139900760) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethyl-8,9-dihydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name2-ethyl-8,9-dihydro-5H-benzo[7]annulene
PubChem CID139900760
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name2-ethyl-8,9-dihydro-5H-benzo[7]annulene
SMILESCCc1ccc2c(c1)CCC=CC2
InChIInChI=1S/C13H16/c1-2-11-8-9-12-6-4-3-5-7-13(12)10-11/h3-4,8-10H,2,5-7H2,1H3
InChIKeyQYWOIPUPOUNLQE-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8,9-dihydro-5H-benzo[7]annulene?
The IUPAC name of 2-ethyl-8,9-dihydro-5H-benzo[7]annulene (CID 139900760) is 2-ethyl-8,9-dihydro-5H-benzo[7]annulene.
What is the SMILES notation for 2-ethyl-8,9-dihydro-5H-benzo[7]annulene?
The canonical SMILES for 2-ethyl-8,9-dihydro-5H-benzo[7]annulene is CCc1ccc2c(c1)CCC=CC2.
What is the InChIKey of 2-ethyl-8,9-dihydro-5H-benzo[7]annulene?
The InChIKey is QYWOIPUPOUNLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-2-11-8-9-12-6-4-3-5-7-13(12)10-11/h3-4,8-10H,2,5-7H2,1H3.
What are the key properties of 2-ethyl-8,9-dihydro-5H-benzo[7]annulene?
2-ethyl-8,9-dihydro-5H-benzo[7]annulene has a molecular weight of 172.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8,9-dihydro-5H-benzo[7]annulene is sourced from PubChem (CID 139900760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).