1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene

C26H34 — CID 139838102

IUPAC1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene
SMILESCCCc1ccc(C2=C(C(C)(C)C)C=C(C(C)(C)C)C2)c2ccccc12
InChIInChI=1S/C26H34/c1-8-11-18-14-15-22(21-13-10-9-12-20(18)21)23-16-19(25(2,3)4)17-24(23)26(5,6)7/h9-10,12-15,17H,8,11,16H2,1-7H3
InChIKeyFSFQQXQWGWQCPP-UHFFFAOYSA-N
MW346.56 g/mol
LogP7.97
Rot. Bonds3

About 1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene

1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene (PubChem CID 139838102) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is 1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene.

Molecular Properties

Compound Name1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene
PubChem CID139838102
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Name1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene
SMILESCCCc1ccc(C2=C(C(C)(C)C)C=C(C(C)(C)C)C2)c2ccccc12
InChIInChI=1S/C26H34/c1-8-11-18-14-15-22(21-13-10-9-12-20(18)21)23-16-19(25(2,3)4)17-24(23)26(5,6)7/h9-10,12-15,17H,8,11,16H2,1-7H3
InChIKeyFSFQQXQWGWQCPP-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-propylnaphthalene
CID 139928105
1-hexyl-4-propylnaphthalene
CID 173269452
N,N-dimethyl-1-(4-propylnaphthalen-1-yl)methanamine;methane
CID 157123555
1-cyclopentyl-4-propylnaphthalene
CID 173269016
sodium 4-propylnaphthalene-1-sulfonate
CID 23722881
2-(4-propylnaphthalen-1-yl)-1,3-dioxolane
CID 59092303
2,4-ditert-butyl-1-methylcyclopenta-1,3-diene
CID 150460331
2-propyl-1-(2-propylnaphthalen-1-yl)naphthalene
CID 59336410
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
methanamine;1-propylnaphthalene
CID 174438724
1-methoxy-2-propylnaphthalene
CID 19091368
1-fluoro-5-propylnaphthalene
CID 143275008

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene?
The IUPAC name of 1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene (CID 139838102) is 1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene.
What is the SMILES notation for 1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene?
The canonical SMILES for 1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene is CCCc1ccc(C2=C(C(C)(C)C)C=C(C(C)(C)C)C2)c2ccccc12.
What is the InChIKey of 1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene?
The InChIKey is FSFQQXQWGWQCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34/c1-8-11-18-14-15-22(21-13-10-9-12-20(18)21)23-16-19(25(2,3)4)17-24(23)26(5,6)7/h9-10,12-15,17H,8,11,16H2,1-7H3.
What are the key properties of 1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene?
1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene has a molecular weight of 346.56 g/mol, XLogP of 7.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-ditert-butylcyclopenta-1,3-dien-1-yl)-4-propylnaphthalene is sourced from PubChem (CID 139838102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).