(2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid

C26H34O2 — CID 11406304

IUPAC(2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SMILESCC(=C/C=C/C(C)=C/C(=O)O)/C=C/c1cc(C(C)(C)C)cc2c1CCC2(C)C
InChIInChI=1S/C26H34O2/c1-18(9-8-10-19(2)15-24(27)28)11-12-20-16-21(25(3,4)5)17-23-22(20)13-14-26(23,6)7/h8-12,15-17H,13-14H2,1-7H3,(H,27,28)/b10-8+,12-11+,18-9-,19-15+
InChIKeyXOASAPCPGRYKOL-JJYLAMBOSA-N
MW378.56 g/mol
LogP6.75
Rot. Bonds5

About (2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid

(2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid (PubChem CID 11406304) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid.

Molecular Properties

Compound Name(2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
PubChem CID11406304
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name(2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SMILESCC(=C/C=C/C(C)=C/C(=O)O)/C=C/c1cc(C(C)(C)C)cc2c1CCC2(C)C
InChIInChI=1S/C26H34O2/c1-18(9-8-10-19(2)15-24(27)28)11-12-20-16-21(25(3,4)5)17-23-22(20)13-14-26(23,6)7/h8-12,15-17H,13-14H2,1-7H3,(H,27,28)/b10-8+,12-11+,18-9-,19-15+
InChIKeyXOASAPCPGRYKOL-JJYLAMBOSA-N
XLogP6.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.75
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)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic 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

(2E,4E,6Z)-7-(7-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)-3-methylocta-2,4,6-trienoic acid
CID 88786097
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid;hydron
CID 87908258
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid;methanol
CID 175522438
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid;platinum
CID 87812938
sodium;(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid;hydride
CID 174585390
(2E,4E,6E,8E)-9-[2-(1-methoxyethyl)-5,5-dimethylcyclopenten-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
CID 6437869
(2E,4E,6Z)-7-(3,5-ditert-butylphenyl)-3-methylnona-2,4,6-trienoic acid
CID 18705081
(4E,6Z)-7-[3-[(4-tert-butylphenyl)methoxy]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-3-methylocta-2,4,6-trienoic acid
CID 173246585
(2E,4E,6E,8E)-9-[(6S)-2,6-dimethyl-6-phenylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
CID 122535797
(2E,4E,6Z,8E)-9-[(1R,4R,5R)-1,4-dimethyl-3-bicyclo[3.1.0]hex-2-enyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
CID 102164793
7-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid
CID 54366013
(2E,4E,6Z)-8,8,8-trifluoro-7-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid
CID 86594542

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid?
The IUPAC name of (2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid (CID 11406304) is (2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid.
What is the SMILES notation for (2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid?
The canonical SMILES for (2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid is CC(=C/C=C/C(C)=C/C(=O)O)/C=C/c1cc(C(C)(C)C)cc2c1CCC2(C)C.
What is the InChIKey of (2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid?
The InChIKey is XOASAPCPGRYKOL-JJYLAMBOSA-N. The full InChI is InChI=1S/C26H34O2/c1-18(9-8-10-19(2)15-24(27)28)11-12-20-16-21(25(3,4)5)17-23-22(20)13-14-26(23,6)7/h8-12,15-17H,13-14H2,1-7H3,(H,27,28)/b10-8+,12-11+,18-9-,19-15+.
What are the key properties of (2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid?
(2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid has a molecular weight of 378.56 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E)-9-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid is sourced from PubChem (CID 11406304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).