1-butyl-4-ethylcyclopenta-1,3-diene

C11H18 — CID 139667427

IUPAC1-butyl-4-ethylcyclopenta-1,3-diene
SMILESCCCCC1=CC=C(CC)C1
InChIInChI=1S/C11H18/c1-3-5-6-11-8-7-10(4-2)9-11/h7-8H,3-6,9H2,1-2H3
InChIKeyNNDMAHVRWOHQQH-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.84
Rot. Bonds4

About 1-butyl-4-ethylcyclopenta-1,3-diene

1-butyl-4-ethylcyclopenta-1,3-diene (PubChem CID 139667427) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1-butyl-4-ethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-butyl-4-ethylcyclopenta-1,3-diene
PubChem CID139667427
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1-butyl-4-ethylcyclopenta-1,3-diene
SMILESCCCCC1=CC=C(CC)C1
InChIInChI=1S/C11H18/c1-3-5-6-11-8-7-10(4-2)9-11/h7-8H,3-6,9H2,1-2H3
InChIKeyNNDMAHVRWOHQQH-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-propylcyclopenta-1,3-diene
CID 139667468
1,4-dipropylcyclopenta-1,3-diene
CID 19391248
6-butylcyclohepta-3,5-diene-1,2-dione
CID 74763915
3-butyl-2H-oxete
CID 141123822
1-methyl-4-propylcyclopenta-1,3-diene
CID 18798459
1-pentylcyclopropene
CID 159067584
3-butyl-2H-pyrrol-5-amine
CID 70140066
6-pentylcyclohepta-3,5-diene-1,2-dione
CID 74763911
4-butyl-2,3-dihydro-1H-pyrrole
CID 147736582
1-dodecylcyclopropene
CID 22621656
1-tridecylcyclopropene
CID 22621692
4-butyl-1-methyl-3H-pyrrol-2-one
CID 171490713

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-ethylcyclopenta-1,3-diene?
The IUPAC name of 1-butyl-4-ethylcyclopenta-1,3-diene (CID 139667427) is 1-butyl-4-ethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-butyl-4-ethylcyclopenta-1,3-diene?
The canonical SMILES for 1-butyl-4-ethylcyclopenta-1,3-diene is CCCCC1=CC=C(CC)C1.
What is the InChIKey of 1-butyl-4-ethylcyclopenta-1,3-diene?
The InChIKey is NNDMAHVRWOHQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-5-6-11-8-7-10(4-2)9-11/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-butyl-4-ethylcyclopenta-1,3-diene?
1-butyl-4-ethylcyclopenta-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-ethylcyclopenta-1,3-diene is sourced from PubChem (CID 139667427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).