(2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid

C19H20O2 — CID 102164773

IUPAC(2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid
SMILESC/C(=C/C=C/C(C)=C/C(=O)O)C1=Cc2ccccc2CC1
InChIInChI=1S/C19H20O2/c1-14(12-19(20)21)6-5-7-15(2)17-11-10-16-8-3-4-9-18(16)13-17/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)/b6-5+,14-12+,15-7-
InChIKeyGLSHOSCAFKXCNN-KRTPMNCVSA-N
MW280.37 g/mol
LogP4.55
Rot. Bonds4

About (2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid

(2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid (PubChem CID 102164773) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid.

Molecular Properties

Compound Name(2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid
PubChem CID102164773
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid
SMILESC/C(=C/C=C/C(C)=C/C(=O)O)C1=Cc2ccccc2CC1
InChIInChI=1S/C19H20O2/c1-14(12-19(20)21)6-5-7-15(2)17-11-10-16-8-3-4-9-18(16)13-17/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)/b6-5+,14-12+,15-7-
InChIKeyGLSHOSCAFKXCNN-KRTPMNCVSA-N
XLogP4.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.55
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)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid with MolForge

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Related Compounds

(2E,4E,6Z,8E)-3,7-dimethyl-8-(2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid
CID 156613619
(2E,4E,6E,8E)-3,7-dimethyl-8-(8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)octa-2,4,6-trienoic acid
CID 11580392
7-[2-(2-adamantyl)-2H-chromen-3-yl]-3-methylocta-2,4,6-trienoic acid
CID 173311484
7-(6,8-ditert-butyl-2H-chromen-3-yl)-3-methylocta-2,4,6-trienoic acid
CID 173311581
(4E,6Z)-7-(4-methoxyphenyl)-3-methylocta-2,4,6-trienoic acid
CID 173292935
3-methyl-7-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)octa-2,4,6-trienoic acid
CID 54052728
7-(3,3-dimethyl-2H-1-benzothiophen-5-yl)-3-methylocta-2,4,6-trienoic acid
CID 54056410
(2E,4E,6E,8E)-3,7-dimethyl-8-(3-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)octa-2,4,6-trienoic acid
CID 10086191
(2E,4E)-3,7-dimethyl-8-(3-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)octa-2,4,6-trienoic acid
CID 173469610
(2E,4E,6E)-7-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-methylocta-2,4,6-trienoic acid
CID 125306901
(2E,4E,6E,8E)-9-[(6S)-2,6-dimethyl-6-phenylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
CID 122535797
9-(2,6-dichloro-3,5-dihydroxyphenyl)-3,5-dimethyldeca-2,4,6,8-tetraenoic acid
CID 163113029

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid?
The IUPAC name of (2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid (CID 102164773) is (2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid.
What is the SMILES notation for (2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid?
The canonical SMILES for (2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid is C/C(=C/C=C/C(C)=C/C(=O)O)C1=Cc2ccccc2CC1.
What is the InChIKey of (2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid?
The InChIKey is GLSHOSCAFKXCNN-KRTPMNCVSA-N. The full InChI is InChI=1S/C19H20O2/c1-14(12-19(20)21)6-5-7-15(2)17-11-10-16-8-3-4-9-18(16)13-17/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)/b6-5+,14-12+,15-7-.
What are the key properties of (2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid?
(2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid has a molecular weight of 280.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-7-(3,4-dihydronaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid is sourced from PubChem (CID 102164773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).