5-butyl-5-propan-2-ylcyclopenta-1,3-diene

C12H20 — CID 140973700

IUPAC5-butyl-5-propan-2-ylcyclopenta-1,3-diene
SMILESCCCCC1(C(C)C)C=CC=C1
InChIInChI=1S/C12H20/c1-4-5-8-12(11(2)3)9-6-7-10-12/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyXJTNJVSFSJICKU-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds4

About 5-butyl-5-propan-2-ylcyclopenta-1,3-diene

5-butyl-5-propan-2-ylcyclopenta-1,3-diene (PubChem CID 140973700) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5-butyl-5-propan-2-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-butyl-5-propan-2-ylcyclopenta-1,3-diene
PubChem CID140973700
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5-butyl-5-propan-2-ylcyclopenta-1,3-diene
SMILESCCCCC1(C(C)C)C=CC=C1
InChIInChI=1S/C12H20/c1-4-5-8-12(11(2)3)9-6-7-10-12/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyXJTNJVSFSJICKU-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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Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-propan-2-ylcyclopenta-1,3-diene?
The IUPAC name of 5-butyl-5-propan-2-ylcyclopenta-1,3-diene (CID 140973700) is 5-butyl-5-propan-2-ylcyclopenta-1,3-diene.
What is the SMILES notation for 5-butyl-5-propan-2-ylcyclopenta-1,3-diene?
The canonical SMILES for 5-butyl-5-propan-2-ylcyclopenta-1,3-diene is CCCCC1(C(C)C)C=CC=C1.
What is the InChIKey of 5-butyl-5-propan-2-ylcyclopenta-1,3-diene?
The InChIKey is XJTNJVSFSJICKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-5-8-12(11(2)3)9-6-7-10-12/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 5-butyl-5-propan-2-ylcyclopenta-1,3-diene?
5-butyl-5-propan-2-ylcyclopenta-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-butyl-5-propan-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 140973700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).