1-pentan-3-ylbicyclo[2.2.0]hexane

C11H20 — CID 123433061

IUPAC1-pentan-3-ylbicyclo[2.2.0]hexane
SMILESCCC(CC)C12CCC1CC2
InChIInChI=1S/C11H20/c1-3-9(4-2)11-7-5-10(11)6-8-11/h9-10H,3-8H2,1-2H3
InChIKeyQKYNLXPZCDFCAT-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds3

About 1-pentan-3-ylbicyclo[2.2.0]hexane

1-pentan-3-ylbicyclo[2.2.0]hexane (PubChem CID 123433061) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-pentan-3-ylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1-pentan-3-ylbicyclo[2.2.0]hexane
PubChem CID123433061
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-pentan-3-ylbicyclo[2.2.0]hexane
SMILESCCC(CC)C12CCC1CC2
InChIInChI=1S/C11H20/c1-3-9(4-2)11-7-5-10(11)6-8-11/h9-10H,3-8H2,1-2H3
InChIKeyQKYNLXPZCDFCAT-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.61
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[2.2.0]hexane?
The IUPAC name of 1-pentan-3-ylbicyclo[2.2.0]hexane (CID 123433061) is 1-pentan-3-ylbicyclo[2.2.0]hexane.
What is the SMILES notation for 1-pentan-3-ylbicyclo[2.2.0]hexane?
The canonical SMILES for 1-pentan-3-ylbicyclo[2.2.0]hexane is CCC(CC)C12CCC1CC2.
What is the InChIKey of 1-pentan-3-ylbicyclo[2.2.0]hexane?
The InChIKey is QKYNLXPZCDFCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-9(4-2)11-7-5-10(11)6-8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-pentan-3-ylbicyclo[2.2.0]hexane?
1-pentan-3-ylbicyclo[2.2.0]hexane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 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[2.2.0]hexane is sourced from PubChem (CID 123433061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).