pent-4-en-2-ylcyclopentane

C10H18 — CID 20548664

IUPACpent-4-en-2-ylcyclopentane
SMILESC=CCC(C)C1CCCC1
InChIInChI=1S/C10H18/c1-3-6-9(2)10-7-4-5-8-10/h3,9-10H,1,4-8H2,2H3
InChIKeyGGNZBNQQSFAJKX-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds3

About pent-4-en-2-ylcyclopentane

pent-4-en-2-ylcyclopentane (PubChem CID 20548664) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is pent-4-en-2-ylcyclopentane.

Molecular Properties

Compound Namepent-4-en-2-ylcyclopentane
PubChem CID20548664
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Namepent-4-en-2-ylcyclopentane
SMILESC=CCC(C)C1CCCC1
InChIInChI=1S/C10H18/c1-3-6-9(2)10-7-4-5-8-10/h3,9-10H,1,4-8H2,2H3
InChIKeyGGNZBNQQSFAJKX-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pent-4-en-2-ylcyclopentane?
The IUPAC name of pent-4-en-2-ylcyclopentane (CID 20548664) is pent-4-en-2-ylcyclopentane.
What is the SMILES notation for pent-4-en-2-ylcyclopentane?
The canonical SMILES for pent-4-en-2-ylcyclopentane is C=CCC(C)C1CCCC1.
What is the InChIKey of pent-4-en-2-ylcyclopentane?
The InChIKey is GGNZBNQQSFAJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-6-9(2)10-7-4-5-8-10/h3,9-10H,1,4-8H2,2H3.
What are the key properties of pent-4-en-2-ylcyclopentane?
pent-4-en-2-ylcyclopentane has a molecular weight of 138.25 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-en-2-ylcyclopentane is sourced from PubChem (CID 20548664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).