1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene

C17H16 — CID 139838075

IUPAC1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene
SMILESCc1cc(C)c2ccccc2c1C1=CC=CC1
InChIInChI=1S/C17H16/c1-12-11-13(2)17(14-7-3-4-8-14)16-10-6-5-9-15(12)16/h3-7,9-11H,8H2,1-2H3
InChIKeySGBAIEDLAQNBOL-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.80
Rot. Bonds1

About 1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene

1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene (PubChem CID 139838075) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene
PubChem CID139838075
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene
SMILESCc1cc(C)c2ccccc2c1C1=CC=CC1
InChIInChI=1S/C17H16/c1-12-11-13(2)17(14-7-3-4-8-14)16-10-6-5-9-15(12)16/h3-7,9-11H,8H2,1-2H3
InChIKeySGBAIEDLAQNBOL-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-tri(cyclopenta-1,3-dien-1-yl)triphenylene
CID 175106431
1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene
CID 18328507
1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene
CID 19892519
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;dibenzothiophene
CID 174827544
CID 173294422
CID 173294422
1-(2,4-dimethylphenyl)-2,4-dimethylnaphthalene
CID 143438685
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
CID 173294042
CID 173294042
17-[bis(4-methylphenyl)methylidene]-16-cyclopenta-1,3-dien-1-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,18,20-decaene
CID 23078780
1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
CID 144640126
1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
CID 174397877
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
CID 174855850

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene (CID 139838075) is 1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene is Cc1cc(C)c2ccccc2c1C1=CC=CC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene?
The InChIKey is SGBAIEDLAQNBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-12-11-13(2)17(14-7-3-4-8-14)16-10-6-5-9-15(12)16/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene?
1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene has a molecular weight of 220.31 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-2,4-dimethylnaphthalene is sourced from PubChem (CID 139838075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).