(2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal

C21H26O2 — CID 88837038

IUPAC(2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal
SMILESCC1=CC(=O)CC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=O
InChIInChI=1S/C21H26O2/c1-16(10-7-13-22)8-6-9-17(2)11-12-20-18(3)14-19(23)15-21(20,4)5/h6-14H,15H2,1-5H3/b9-6+,10-7+,16-8+,17-11+,20-12+
InChIKeyMOHFMUCRLOUSHZ-UKAYVMEPSA-N
MW310.44 g/mol
LogP5.06
Rot. Bonds5

About (2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal

(2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal (PubChem CID 88837038) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal.

Molecular Properties

Compound Name(2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal
PubChem CID88837038
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name(2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal
SMILESCC1=CC(=O)CC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=O
InChIInChI=1S/C21H26O2/c1-16(10-7-13-22)8-6-9-17(2)11-12-20-18(3)14-19(23)15-21(20,4)5/h6-14H,15H2,1-5H3/b9-6+,10-7+,16-8+,17-11+,20-12+
InChIKeyMOHFMUCRLOUSHZ-UKAYVMEPSA-N
XLogP5.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal with MolForge

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Related Compounds

[2,6-dimethyl-8-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)octa-2,4,6-trienyl]-triphenylphosphanium
CID 173460684
(4Z)-4-[(Z)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
CID 6437349
(4Z)-4-[(2E)-3,7-dimethylocta-2,6-dien-4-ynylidene]-3,5,5-trimethylcyclohex-2-en-1-one
CID 88837876
23-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-4,8,12,17,21-pentamethyltricosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal
CID 162952110
(2E)-2-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)acetonitrile
CID 45098258
4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-hydroxy-3,7,12-trimethylhexadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 87508618
[3,7-dimethyl-1-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)octa-2,4,6-trienyl]-triphenylphosphanium bromide
CID 88837617
(2E,4E,6E,8E,10E)-3,7-dimethyl-11-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)undeca-2,4,6,8,10-pentaenal
CID 102131023
(3E,5E,7E,9Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-ylidene)nona-3,5,7-trien-1-ol
CID 5378255
4-methylocta-2,4,6-trienedial
CID 74956406
(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal
CID 5280867
2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,5-trimethyl-3-oxocyclopenten-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclopent-2-en-1-one
CID 10414836

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal?
The IUPAC name of (2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal (CID 88837038) is (2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal.
What is the SMILES notation for (2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal?
The canonical SMILES for (2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal is CC1=CC(=O)CC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=O.
What is the InChIKey of (2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal?
The InChIKey is MOHFMUCRLOUSHZ-UKAYVMEPSA-N. The full InChI is InChI=1S/C21H26O2/c1-16(10-7-13-22)8-6-9-17(2)11-12-20-18(3)14-19(23)15-21(20,4)5/h6-14H,15H2,1-5H3/b9-6+,10-7+,16-8+,17-11+,20-12+.
What are the key properties of (2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal?
(2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal has a molecular weight of 310.44 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10Z)-4,8-dimethyl-10-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)deca-2,4,6,8-tetraenal is sourced from PubChem (CID 88837038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).