1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene

C22H28 — CID 20646486

IUPAC1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene
SMILESC/C=C(C)/C=C/C=C(\C)c1ccc2c(c1)C(C)=CCC2(C)C
InChIInChI=1S/C22H28/c1-7-16(2)9-8-10-17(3)19-11-12-21-20(15-19)18(4)13-14-22(21,5)6/h7-13,15H,14H2,1-6H3/b9-8+,16-7+,17-10+
InChIKeyFBZWKAKAYDNDNA-NDWGSUAISA-N
MW292.47 g/mol
LogP6.70
Rot. Bonds3

About 1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene

1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene (PubChem CID 20646486) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene.

Molecular Properties

Compound Name1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene
PubChem CID20646486
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene
SMILESC/C=C(C)/C=C/C=C(\C)c1ccc2c(c1)C(C)=CCC2(C)C
InChIInChI=1S/C22H28/c1-7-16(2)9-8-10-17(3)19-11-12-21-20(15-19)18(4)13-14-22(21,5)6/h7-13,15H,14H2,1-6H3/b9-8+,16-7+,17-10+
InChIKeyFBZWKAKAYDNDNA-NDWGSUAISA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene with MolForge

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Related Compounds

6-methoxy-1,1,4-trimethyl-2H-naphthalene
CID 20646489
7-(3,3-dimethyl-2H-1-benzothiophen-5-yl)-3-methylocta-2,4,6-trienoic acid
CID 54056410
(2E,4E,6E)-7-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-methylocta-2,4,6-trienoic acid
CID 125306901
(4-methylphenyl)-(5,5,8-trimethyl-6H-naphthalen-2-yl)diazene
CID 22946830
4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienamide
CID 88701800
4-[[(5,5,8-trimethyl-6H-naphthalen-2-yl)amino]methyl]benzoic acid
CID 69196527
ethyl 7-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-3-methylocta-2,4,6-trienoate
CID 54436112
4-[2-[8-(3,3-dimethylpent-1-enyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid
CID 90996188
(2E,4E,6Z)-4-methyl-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid
CID 88701368
8-tert-butyl-5,5-dimethyl-6H-naphthalene-2-carboxylic acid
CID 22571551
3-fluoro-4-[(E)-3-hydroxyimino-3-(5,8,8-trimethyl-7H-naphthalen-2-yl)prop-1-enyl]benzoic acid
CID 173131477
(2E,4E)-5-(6-methylnaphthalen-2-yl)hexa-2,4-dienoic acid
CID 116822604

Frequently Asked Questions

What is the IUPAC name of 1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene?
The IUPAC name of 1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene (CID 20646486) is 1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene.
What is the SMILES notation for 1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene?
The canonical SMILES for 1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene is C/C=C(C)/C=C/C=C(\C)c1ccc2c(c1)C(C)=CCC2(C)C.
What is the InChIKey of 1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene?
The InChIKey is FBZWKAKAYDNDNA-NDWGSUAISA-N. The full InChI is InChI=1S/C22H28/c1-7-16(2)9-8-10-17(3)19-11-12-21-20(15-19)18(4)13-14-22(21,5)6/h7-13,15H,14H2,1-6H3/b9-8+,16-7+,17-10+.
What are the key properties of 1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene?
1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene has a molecular weight of 292.47 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4-trimethyl-6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-2H-naphthalene is sourced from PubChem (CID 20646486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).