(2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane

C19H28O2 — CID 142106348

IUPAC(2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane
SMILESC/C=c1/oc(C2=CCCC=C2)cc(=O)/c1=C/C.CC.CC
InChIInChI=1S/C15H16O2.2C2H6/c1-3-12-13(16)10-15(17-14(12)4-2)11-8-6-5-7-9-11;2*1-2/h3-4,6,8-10H,5,7H2,1-2H3;2*1-2H3/b12-3-,14-4+;;
InChIKeyLNPSLFLIGUCSSU-QVNWUPAZSA-N
MW288.43 g/mol
LogP4.03
Rot. Bonds1

About (2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane

(2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane (PubChem CID 142106348) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane.

Molecular Properties

Compound Name(2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane
PubChem CID142106348
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane
SMILESC/C=c1/oc(C2=CCCC=C2)cc(=O)/c1=C/C.CC.CC
InChIInChI=1S/C15H16O2.2C2H6/c1-3-12-13(16)10-15(17-14(12)4-2)11-8-6-5-7-9-11;2*1-2/h3-4,6,8-10H,5,7H2,1-2H3;2*1-2H3/b12-3-,14-4+;;
InChIKeyLNPSLFLIGUCSSU-QVNWUPAZSA-N
XLogP4.03
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-7H-chromen-7-one
CID 765984
Chromene-2,5-dione
CID 19899665
Xanthene-1,8(2h)-dione
CID 87091738
Chromen-5(2h)-one
CID 138986898
2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one
CID 135025838
4-[5-(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 14924160
[1]benzopyran-7(8H)-one
CID 21416084
1-(6-Methoxycyclohexa-1,5-dien-1-yl)ethanone
CID 21712114
6-Methyl-2,3-dimethylidenepyran-4-one
CID 54010923
Tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium
CID 58525955
(6E)-3,5-dimethoxy-6-(3-methylbutylidene)cyclohexa-2,4-dien-1-one
CID 58835493
2-(2-oxopropyl)-6H-chromen-6-id-4-one;yttrium
CID 59124827

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane?
The IUPAC name of (2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane (CID 142106348) is (2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane.
What is the SMILES notation for (2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane?
The canonical SMILES for (2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane is C/C=c1/oc(C2=CCCC=C2)cc(=O)/c1=C/C.CC.CC.
What is the InChIKey of (2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane?
The InChIKey is LNPSLFLIGUCSSU-QVNWUPAZSA-N. The full InChI is InChI=1S/C15H16O2.2C2H6/c1-3-12-13(16)10-15(17-14(12)4-2)11-8-6-5-7-9-11;2*1-2/h3-4,6,8-10H,5,7H2,1-2H3;2*1-2H3/b12-3-,14-4+;;.
What are the key properties of (2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane?
(2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane has a molecular weight of 288.43 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-6-cyclohexa-1,5-dien-1-yl-2,3-di(ethylidene)pyran-4-one;ethane is sourced from PubChem (CID 142106348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).