1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene

C12H20 — CID 139667512

IUPAC1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene
SMILESCCCCC1=C(CC)C(C)=CC1
InChIInChI=1S/C12H20/c1-4-6-7-11-9-8-10(3)12(11)5-2/h8H,4-7,9H2,1-3H3
InChIKeyAYNHTJVCODGNHQ-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.23
Rot. Bonds4

About 1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene

1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene (PubChem CID 139667512) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene
PubChem CID139667512
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene
SMILESCCCCC1=C(CC)C(C)=CC1
InChIInChI=1S/C12H20/c1-4-6-7-11-9-8-10(3)12(11)5-2/h8H,4-7,9H2,1-3H3
InChIKeyAYNHTJVCODGNHQ-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.23
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
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1-butyl-2-methylcyclopenta-1,3-diene
CID 11252040
dibromo-(2-butyl-4-methylcyclohexa-1,4-dien-1-yl)borane
CID 134978680
1,3,5-tributyl-2,4,6-triethylbenzene
CID 10925571
2-(4,5-dibutylcyclopenta-1,4-dien-1-yl)furan
CID 11184143
1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene
CID 21105891
1,2,3,4-tetrabutylcyclopenta-1,3-diene
CID 14094225
bis(1-butyl-2-methylcyclopenta-1,3-diene);zirconium(2+);dichloride
CID 159165203
1-butyl-2-ethylcyclopentene
CID 154086983
3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene
CID 22347909
3-bromo-1,2-diethylcyclopenta-1,3-diene
CID 173084452

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene?
The IUPAC name of 1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene (CID 139667512) is 1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene.
What is the SMILES notation for 1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene?
The canonical SMILES for 1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene is CCCCC1=C(CC)C(C)=CC1.
What is the InChIKey of 1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene?
The InChIKey is AYNHTJVCODGNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-6-7-11-9-8-10(3)12(11)5-2/h8H,4-7,9H2,1-3H3.
What are the key properties of 1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene?
1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethyl-3-methylcyclopenta-1,3-diene is sourced from PubChem (CID 139667512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).