1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene

C22H40 — CID 175936789

IUPAC1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
SMILESCCCCC(CCCC)(CCCC)C1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C22H40/c1-8-11-14-22(15-12-9-2,16-13-10-3)21-19(6)17(4)18(5)20(21)7/h19H,8-16H2,1-7H3
InChIKeyJWQPCFGFRYYNSO-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.85
Rot. Bonds10

About 1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene

1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene (PubChem CID 175936789) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
PubChem CID175936789
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
SMILESCCCCC(CCCC)(CCCC)C1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C22H40/c1-8-11-14-22(15-12-9-2,16-13-10-3)21-19(6)17(4)18(5)20(21)7/h19H,8-16H2,1-7H3
InChIKeyJWQPCFGFRYYNSO-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene 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

tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 86667942
1-(5-butyldecan-5-yl)-2-methylbenzene
CID 173021095
2-butyl-2-(4-methylphenyl)propane-1,3-diol
CID 79449599
6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene
CID 123196289
2,2-dimethylhexane
CID 169424592
hexane;molybdenum
CID 162092649
2-(5-butylnonan-5-yl)benzene-1,3-diamine
CID 150755453
5-butylhexadecan-5-ylbenzene
CID 173084700
5-butylnonan-5-ylsulfanylstannane
CID 89314604
azane;2,2-dimethylhexane
CID 161105081
5-bromo-5-butylnonane
CID 23146783
5,5-difluorononane
CID 21410163

Frequently Asked Questions

What is the IUPAC name of 1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene (CID 175936789) is 1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene is CCCCC(CCCC)(CCCC)C1=C(C)C(C)=C(C)C1C.
What is the InChIKey of 1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is JWQPCFGFRYYNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-8-11-14-22(15-12-9-2,16-13-10-3)21-19(6)17(4)18(5)20(21)7/h19H,8-16H2,1-7H3.
What are the key properties of 1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 304.56 g/mol, XLogP of 7.85, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 175936789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).