2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene

C15H26 — CID 139667593

IUPAC2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene
SMILESCCCCC1=C(C(C)C)CC=C1C(C)C
InChIInChI=1S/C15H26/c1-6-7-8-15-13(11(2)3)9-10-14(15)12(4)5/h9,11-12H,6-8,10H2,1-5H3
InChIKeyJCKRCYZYHHESRP-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.12
Rot. Bonds5

About 2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene

2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene (PubChem CID 139667593) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene
PubChem CID139667593
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene
SMILESCCCCC1=C(C(C)C)CC=C1C(C)C
InChIInChI=1S/C15H26/c1-6-7-8-15-13(11(2)3)9-10-14(15)12(4)5/h9,11-12H,6-8,10H2,1-5H3
InChIKeyJCKRCYZYHHESRP-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dipentyl-3-propan-2-ylcyclopenta-1,3-diene
CID 173429921
2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
CID 153335086
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1-(2-methylheptyl)cyclopropene
CID 22621699
2-butyl-3-[2-(5-butyl-4-chlorocyclopenta-1,4-dien-1-yl)propan-2-yl]-1-chlorocyclopenta-1,3-diene
CID 87982404
tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
CID 140588633
1-pentylcyclopropene
CID 159067584
1,2,3,4-tetrabutylcyclopenta-1,3-diene
CID 14094225
4-butyl-3-methyl-1,8a-dihydronaphthalene
CID 163785888
1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene
CID 139667512
1,3-dibutyl-5-propan-2-ylbenzene
CID 19812391
1-tridecylcyclopropene
CID 22621692

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene (CID 139667593) is 2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene is CCCCC1=C(C(C)C)CC=C1C(C)C.
What is the InChIKey of 2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene?
The InChIKey is JCKRCYZYHHESRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-6-7-8-15-13(11(2)3)9-10-14(15)12(4)5/h9,11-12H,6-8,10H2,1-5H3.
What are the key properties of 2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene?
2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene has a molecular weight of 206.37 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 139667593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).