(4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one

C12H14O — CID 18679856

IUPAC(4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one
SMILESO=C1/C=C2/CC=CC=C2CCCC1
InChIInChI=1S/C12H14O/c13-12-8-4-3-6-10-5-1-2-7-11(10)9-12/h1-2,5,9H,3-4,6-8H2/b11-9-
InChIKeyXGUUDRCVSPOPFY-LUAWRHEFSA-N
MW174.24 g/mol
LogP2.94
Rot. Bonds

About (4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one

(4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one (PubChem CID 18679856) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one.

Molecular Properties

Compound Name(4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one
PubChem CID18679856
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one
SMILESO=C1/C=C2/CC=CC=C2CCCC1
InChIInChI=1S/C12H14O/c13-12-8-4-3-6-10-5-1-2-7-11(10)9-12/h1-2,5,9H,3-4,6-8H2/b11-9-
InChIKeyXGUUDRCVSPOPFY-LUAWRHEFSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one?
The IUPAC name of (4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one (CID 18679856) is (4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one.
What is the SMILES notation for (4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one?
The canonical SMILES for (4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one is O=C1/C=C2/CC=CC=C2CCCC1.
What is the InChIKey of (4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one?
The InChIKey is XGUUDRCVSPOPFY-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H14O/c13-12-8-4-3-6-10-5-1-2-7-11(10)9-12/h1-2,5,9H,3-4,6-8H2/b11-9-.
What are the key properties of (4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one?
(4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one has a molecular weight of 174.24 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ)-7,8,9,10-tetrahydro-4H-benzo[8]annulen-6-one is sourced from PubChem (CID 18679856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).