2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene

C17H28 — CID 87360385

IUPAC2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene
SMILESCC(C)C(C)(C)C1CCC(C)(C2=CCC=C2)C1
InChIInChI=1S/C17H28/c1-13(2)16(3,4)15-10-11-17(5,12-15)14-8-6-7-9-14/h6,8-9,13,15H,7,10-12H2,1-5H3
InChIKeyNXNTUKQWZSBSAJ-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.36
Rot. Bonds3

About 2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene

2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene (PubChem CID 87360385) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene
PubChem CID87360385
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene
SMILESCC(C)C(C)(C)C1CCC(C)(C2=CCC=C2)C1
InChIInChI=1S/C17H28/c1-13(2)16(3,4)15-10-11-17(5,12-15)14-8-6-7-9-14/h6,8-9,13,15H,7,10-12H2,1-5H3
InChIKeyNXNTUKQWZSBSAJ-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-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

4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane
CID 142139515
2-(1-propan-2-ylcyclopentyl)cyclopenta-1,3-diene
CID 87359254
1-cyclopenta-1,4-dien-1-ylcyclopropan-1-ol
CID 163697301
2-[(4aS)-4a-methyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]propan-2-ol
CID 70887557
6-(2-hydroxypropan-2-yl)-3a-methyl-3,4,5,6,7,9-hexahydro-2H-cyclopenta[8]annulen-8-one
CID 14191352
1-cyclopenta-1,4-dien-1-yl-1-propan-2-ylindene
CID 19977332
4-(1-cyclohepta-1,4,6-trien-1-ylethyl)piperidine
CID 170764885
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol
CID 79128025
hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene
CID 163741635
11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene
CID 91275461
(8S,9S,10R,13R,14S,17R)-10,13,17-trimethyl-8,9,11,12,14,15,16,17-octahydro-3H-cyclopenta[a]phenanthrene
CID 11492722

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene?
The IUPAC name of 2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene (CID 87360385) is 2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene.
What is the SMILES notation for 2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene?
The canonical SMILES for 2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene is CC(C)C(C)(C)C1CCC(C)(C2=CCC=C2)C1.
What is the InChIKey of 2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene?
The InChIKey is NXNTUKQWZSBSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-13(2)16(3,4)15-10-11-17(5,12-15)14-8-6-7-9-14/h6,8-9,13,15H,7,10-12H2,1-5H3.
What are the key properties of 2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene?
2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene has a molecular weight of 232.41 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene is sourced from PubChem (CID 87360385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).