1-pentan-3-ylbicyclo[2.1.0]pentane

C10H18 — CID 123671929

IUPAC1-pentan-3-ylbicyclo[2.1.0]pentane
SMILESCCC(CC)C12CCC1C2
InChIInChI=1S/C10H18/c1-3-8(4-2)10-6-5-9(10)7-10/h8-9H,3-7H2,1-2H3
InChIKeyUJPALMLVYPXOMD-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds3

About 1-pentan-3-ylbicyclo[2.1.0]pentane

1-pentan-3-ylbicyclo[2.1.0]pentane (PubChem CID 123671929) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-pentan-3-ylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name1-pentan-3-ylbicyclo[2.1.0]pentane
PubChem CID123671929
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-pentan-3-ylbicyclo[2.1.0]pentane
SMILESCCC(CC)C12CCC1C2
InChIInChI=1S/C10H18/c1-3-8(4-2)10-6-5-9(10)7-10/h8-9H,3-7H2,1-2H3
InChIKeyUJPALMLVYPXOMD-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-ylbicyclo[2.1.0]pentane?
The IUPAC name of 1-pentan-3-ylbicyclo[2.1.0]pentane (CID 123671929) is 1-pentan-3-ylbicyclo[2.1.0]pentane.
What is the SMILES notation for 1-pentan-3-ylbicyclo[2.1.0]pentane?
The canonical SMILES for 1-pentan-3-ylbicyclo[2.1.0]pentane is CCC(CC)C12CCC1C2.
What is the InChIKey of 1-pentan-3-ylbicyclo[2.1.0]pentane?
The InChIKey is UJPALMLVYPXOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-8(4-2)10-6-5-9(10)7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-pentan-3-ylbicyclo[2.1.0]pentane?
1-pentan-3-ylbicyclo[2.1.0]pentane has a molecular weight of 138.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-ylbicyclo[2.1.0]pentane is sourced from PubChem (CID 123671929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).