6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene

C21H24 — CID 174085520

IUPAC6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene
SMILESC=C1C=C(C2=C(CC)CCC=C2)Cc2ccc(CC)cc21
InChIInChI=1S/C21H24/c1-4-16-10-11-18-14-19(12-15(3)21(18)13-16)20-9-7-6-8-17(20)5-2/h7,9-13H,3-6,8,14H2,1-2H3
InChIKeyIHRDXUIGRCIFJH-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.80
Rot. Bonds3

About 6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene

6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene (PubChem CID 174085520) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene.

Molecular Properties

Compound Name6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene
PubChem CID174085520
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene
SMILESC=C1C=C(C2=C(CC)CCC=C2)Cc2ccc(CC)cc21
InChIInChI=1S/C21H24/c1-4-16-10-11-18-14-19(12-15(3)21(18)13-16)20-9-7-6-8-17(20)5-2/h7,9-13H,3-6,8,14H2,1-2H3
InChIKeyIHRDXUIGRCIFJH-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 7237
CID 7237
CID 8418
CID 8418
CID 995
CID 995
CID 31423
CID 31423
CID 7002
CID 7002
CID 7463
CID 7463
CID 7247
CID 7247
CID 5954
CID 5954
CID 9171
CID 9171
CID 6001
CID 6001
CID 16932
CID 16932
CID 10686
CID 10686

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene?
The IUPAC name of 6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene (CID 174085520) is 6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene.
What is the SMILES notation for 6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene?
The canonical SMILES for 6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene is C=C1C=C(C2=C(CC)CCC=C2)Cc2ccc(CC)cc21.
What is the InChIKey of 6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene?
The InChIKey is IHRDXUIGRCIFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-4-16-10-11-18-14-19(12-15(3)21(18)13-16)20-9-7-6-8-17(20)5-2/h7,9-13H,3-6,8,14H2,1-2H3.
What are the key properties of 6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene?
6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene has a molecular weight of 276.42 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene is sourced from PubChem (CID 174085520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).