(9Z)-5,8-dihydrobenzo[8]annulene

C12H12 — CID 173122574

IUPAC(9Z)-5,8-dihydrobenzo[8]annulene
SMILESC1=CCc2ccccc2/C=C\C1
InChIInChI=1S/C12H12/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h1,3-6,8-10H,2,7H2/b3-1?,8-4-
InChIKeyOVJZFPAXXCRCJB-JGKYKJABSA-N
MW156.23 g/mol
LogP3.20
Rot. Bonds

About (9Z)-5,8-dihydrobenzo[8]annulene

(9Z)-5,8-dihydrobenzo[8]annulene (PubChem CID 173122574) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is (9Z)-5,8-dihydrobenzo[8]annulene.

Molecular Properties

Compound Name(9Z)-5,8-dihydrobenzo[8]annulene
PubChem CID173122574
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name(9Z)-5,8-dihydrobenzo[8]annulene
SMILESC1=CCc2ccccc2/C=C\C1
InChIInChI=1S/C12H12/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h1,3-6,8-10H,2,7H2/b3-1?,8-4-
InChIKeyOVJZFPAXXCRCJB-JGKYKJABSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9Z)-5,8-dihydrobenzo[8]annulene?
The IUPAC name of (9Z)-5,8-dihydrobenzo[8]annulene (CID 173122574) is (9Z)-5,8-dihydrobenzo[8]annulene.
What is the SMILES notation for (9Z)-5,8-dihydrobenzo[8]annulene?
The canonical SMILES for (9Z)-5,8-dihydrobenzo[8]annulene is C1=CCc2ccccc2/C=C\C1.
What is the InChIKey of (9Z)-5,8-dihydrobenzo[8]annulene?
The InChIKey is OVJZFPAXXCRCJB-JGKYKJABSA-N. The full InChI is InChI=1S/C12H12/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h1,3-6,8-10H,2,7H2/b3-1?,8-4-.
What are the key properties of (9Z)-5,8-dihydrobenzo[8]annulene?
(9Z)-5,8-dihydrobenzo[8]annulene has a molecular weight of 156.23 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-5,8-dihydrobenzo[8]annulene is sourced from PubChem (CID 173122574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).