8,9-dihydro-7H-benzo[7]annulen-1-olate

C11H11O- — CID 20718206

IUPAC8,9-dihydro-7H-benzo[7]annulen-1-olate
SMILES[O-]c1cccc2c1CCCC=C2
InChIInChI=1S/C11H12O/c12-11-8-4-6-9-5-2-1-3-7-10(9)11/h2,4-6,8,12H,1,3,7H2/p-1
InChIKeyAVQDYMMKOAZRAF-UHFFFAOYSA-M
MW159.21 g/mol
LogP2.11
Rot. Bonds

About 8,9-dihydro-7H-benzo[7]annulen-1-olate

8,9-dihydro-7H-benzo[7]annulen-1-olate (PubChem CID 20718206) has the molecular formula C11H11O- and a molecular weight of 159.21 g/mol. Its IUPAC name is 8,9-dihydro-7H-benzo[7]annulen-1-olate.

Molecular Properties

Compound Name8,9-dihydro-7H-benzo[7]annulen-1-olate
PubChem CID20718206
Molecular FormulaC11H11O-
Molecular Weight159.21 g/mol
Exact Mass159.08
IUPAC Name8,9-dihydro-7H-benzo[7]annulen-1-olate
SMILES[O-]c1cccc2c1CCCC=C2
InChIInChI=1S/C11H12O/c12-11-8-4-6-9-5-2-1-3-7-10(9)11/h2,4-6,8,12H,1,3,7H2/p-1
InChIKeyAVQDYMMKOAZRAF-UHFFFAOYSA-M
XLogP2.11
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydro-7H-benzo[7]annulen-1-olate?
The IUPAC name of 8,9-dihydro-7H-benzo[7]annulen-1-olate (CID 20718206) is 8,9-dihydro-7H-benzo[7]annulen-1-olate.
What is the SMILES notation for 8,9-dihydro-7H-benzo[7]annulen-1-olate?
The canonical SMILES for 8,9-dihydro-7H-benzo[7]annulen-1-olate is [O-]c1cccc2c1CCCC=C2.
What is the InChIKey of 8,9-dihydro-7H-benzo[7]annulen-1-olate?
The InChIKey is AVQDYMMKOAZRAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12O/c12-11-8-4-6-9-5-2-1-3-7-10(9)11/h2,4-6,8,12H,1,3,7H2/p-1.
What are the key properties of 8,9-dihydro-7H-benzo[7]annulen-1-olate?
8,9-dihydro-7H-benzo[7]annulen-1-olate has a molecular weight of 159.21 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydro-7H-benzo[7]annulen-1-olate is sourced from PubChem (CID 20718206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).