5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene

C12H20 — CID 141460457

IUPAC5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene
SMILESCCC(CC)(CC)C1C=CC=C1
InChIInChI=1S/C12H20/c1-4-12(5-2,6-3)11-9-7-8-10-11/h7-11H,4-6H2,1-3H3
InChIKeyCROSBPJTGYMTDO-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds4

About 5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene

5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene (PubChem CID 141460457) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene
PubChem CID141460457
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene
SMILESCCC(CC)(CC)C1C=CC=C1
InChIInChI=1S/C12H20/c1-4-12(5-2,6-3)11-9-7-8-10-11/h7-11H,4-6H2,1-3H3
InChIKeyCROSBPJTGYMTDO-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethylcyclopenta-1,3-diene;hafnium
CID 174248869
potassium;5-ethylcyclopenta-1,3-diene;hydride
CID 174542607
2-cyclopenta-2,4-dien-1-ylpropan-2-ol
CID 12574784
5-(2-methylbutan-2-yl)cyclohexa-1,3-diene
CID 154545542
3-(3-cyclopenta-2,4-dien-1-ylpentan-3-yl)cyclohexene
CID 102026585
5,6-diethylcyclohexa-1,3-diene
CID 556515
diethyl 2-cyclopenta-2,4-dien-1-yl-2-methylpropanedioate
CID 101130490
3-ethylpentan-3-ylcyclopropane
CID 91066295
2-cyclopenta-2,4-dien-1-ylpropan-2-yl hypobromite
CID 167432979
5-[2-(4-hydroxyphenyl)butan-2-yl]cyclohepta-1,3,6-trien-1-ol
CID 144769110
1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol
CID 70477137
(1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine
CID 175591671

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene?
The IUPAC name of 5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene (CID 141460457) is 5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene is CCC(CC)(CC)C1C=CC=C1.
What is the InChIKey of 5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene?
The InChIKey is CROSBPJTGYMTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-12(5-2,6-3)11-9-7-8-10-11/h7-11H,4-6H2,1-3H3.
What are the key properties of 5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene?
5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpentan-3-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 141460457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).