(2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid

C24H30O2 — CID 173297429

IUPAC(2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid
SMILESC/C(C=CC=C1CCCc2cc3c(cc21)C(C)(C)CC3(C)C)=C/C(=O)O
InChIInChI=1S/C24H30O2/c1-16(12-22(25)26)8-6-9-17-10-7-11-18-13-20-21(14-19(17)18)24(4,5)15-23(20,2)3/h6,8-9,12-14H,7,10-11,15H2,1-5H3,(H,25,26)/b8-6?,16-12-,17-9?
InChIKeyMNDGMYOHZGSXRZ-IKBFPIODSA-N
MW350.50 g/mol
LogP5.95
Rot. Bonds3

About (2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid

(2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid (PubChem CID 173297429) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is (2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid
PubChem CID173297429
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name(2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid
SMILESC/C(C=CC=C1CCCc2cc3c(cc21)C(C)(C)CC3(C)C)=C/C(=O)O
InChIInChI=1S/C24H30O2/c1-16(12-22(25)26)8-6-9-17-10-7-11-18-13-20-21(14-19(17)18)24(4,5)15-23(20,2)3/h6,8-9,12-14H,7,10-11,15H2,1-5H3,(H,25,26)/b8-6?,16-12-,17-9?
InChIKeyMNDGMYOHZGSXRZ-IKBFPIODSA-N
XLogP5.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 55.95
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 (2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid?
The IUPAC name of (2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid (CID 173297429) is (2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid.
What is the SMILES notation for (2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid?
The canonical SMILES for (2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid is C/C(C=CC=C1CCCc2cc3c(cc21)C(C)(C)CC3(C)C)=C/C(=O)O.
What is the InChIKey of (2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid?
The InChIKey is MNDGMYOHZGSXRZ-IKBFPIODSA-N. The full InChI is InChI=1S/C24H30O2/c1-16(12-22(25)26)8-6-9-17-10-7-11-18-13-20-21(14-19(17)18)24(4,5)15-23(20,2)3/h6,8-9,12-14H,7,10-11,15H2,1-5H3,(H,25,26)/b8-6?,16-12-,17-9?.
What are the key properties of (2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid?
(2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid has a molecular weight of 350.50 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-6-(1,1,3,3-tetramethyl-2,6,7,8-tetrahydrocyclopenta[g]naphthalen-5-ylidene)hexa-2,4-dienoic acid is sourced from PubChem (CID 173297429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).