ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

C18H22O2 — CID 91278460

IUPACethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCC.CC.O=C1C=CC(=CC=C2C=CC(=O)C=C2)C=C1
InChIInChI=1S/C14H10O2.2C2H6/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;2*1-2/h1-10H;2*1-2H3
InChIKeyMDILERYLNGLHIC-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.28
Rot. Bonds1

About ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one (PubChem CID 91278460) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Nameethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
PubChem CID91278460
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Nameethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
SMILESCC.CC.O=C1C=CC(=CC=C2C=CC(=O)C=C2)C=C1
InChIInChI=1S/C14H10O2.2C2H6/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;2*1-2/h1-10H;2*1-2H3
InChIKeyMDILERYLNGLHIC-UHFFFAOYSA-N
XLogP4.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one (CID 91278460) is ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one is CC.CC.O=C1C=CC(=CC=C2C=CC(=O)C=C2)C=C1.
What is the InChIKey of ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is MDILERYLNGLHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.2C2H6/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;2*1-2/h1-10H;2*1-2H3.
What are the key properties of ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one?
ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 270.37 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 91278460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).