(2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid

C21H24O2 — CID 59444434

IUPAC(2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid
SMILESCC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCCc2cc(C)ccc21
InChIInChI=1S/C21H24O2/c1-15(6-4-7-16(2)14-21(22)23)12-18-8-5-9-19-13-17(3)10-11-20(18)19/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,22,23)/b7-4+,15-6-,16-14+,18-12+
InChIKeyKHXSEEGTXMJURJ-JUPRZYRNSA-N
MW308.42 g/mol
LogP5.25
Rot. Bonds4

About (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid

(2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid (PubChem CID 59444434) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid.

Molecular Properties

Compound Name(2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid
PubChem CID59444434
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name(2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid
SMILESCC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCCc2cc(C)ccc21
InChIInChI=1S/C21H24O2/c1-15(6-4-7-16(2)14-21(22)23)12-18-8-5-9-19-13-17(3)10-11-20(18)19/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,22,23)/b7-4+,15-6-,16-14+,18-12+
InChIKeyKHXSEEGTXMJURJ-JUPRZYRNSA-N
XLogP5.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Alrt-1550
CID 5287705
Vtp-194204
CID 9863341
9cUAB30
CID 9904203
Agn194204
CID 9863342
(2E,4E,6Z,8E)-3-Methyl-7-(p-tolyl)-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
CID 9976842
3-Methyl-7-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-YL)-octa-2,4,6-trienoic acid
CID 5289250
Lorneic Acid A
CID 44605341
3-(4-(1,2-Diphenylbut-1-enyl)phenyl)acrylic acid
CID 5288494
3-(2-Cinnamylphenyl)acrylic acid
CID 9813912
(E)-3-(2-(Naphthalen-2-ylmethyl)phenyl)acrylic acid
CID 9817405
(2e,4e,6z,8e)-3,7-Dimethyl-8-(5-Methyl-3,4-Dihydronaphthalen-1(2h)-Ylidene)octa-2,4,6-Trienoic Acid
CID 59444433
(2e,4e,6z,8e)-3,7-Dimethyl-8-(8-Methyl-3,4-Dihydronaphthalen-1(2h)-Ylidene)octa-2,4,6-Trienoic Acid
CID 59444436

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid?
The IUPAC name of (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid (CID 59444434) is (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid.
What is the SMILES notation for (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid?
The canonical SMILES for (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid is CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCCc2cc(C)ccc21.
What is the InChIKey of (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid?
The InChIKey is KHXSEEGTXMJURJ-JUPRZYRNSA-N. The full InChI is InChI=1S/C21H24O2/c1-15(6-4-7-16(2)14-21(22)23)12-18-8-5-9-19-13-17(3)10-11-20(18)19/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,22,23)/b7-4+,15-6-,16-14+,18-12+.
What are the key properties of (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid?
(2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid has a molecular weight of 308.42 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid is sourced from PubChem (CID 59444434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).