2,5-diethylbicyclo[2.1.0]pentane

C9H16 — CID 123547892

IUPAC2,5-diethylbicyclo[2.1.0]pentane
SMILESCCC1CC2C(CC)C12
InChIInChI=1S/C9H16/c1-3-6-5-8-7(4-2)9(6)8/h6-9H,3-5H2,1-2H3
InChIKeyPETWKNHCDKIFAI-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.69
Rot. Bonds2

About 2,5-diethylbicyclo[2.1.0]pentane

2,5-diethylbicyclo[2.1.0]pentane (PubChem CID 123547892) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 2,5-diethylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2,5-diethylbicyclo[2.1.0]pentane
PubChem CID123547892
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name2,5-diethylbicyclo[2.1.0]pentane
SMILESCCC1CC2C(CC)C12
InChIInChI=1S/C9H16/c1-3-6-5-8-7(4-2)9(6)8/h6-9H,3-5H2,1-2H3
InChIKeyPETWKNHCDKIFAI-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162292687
2,7-diethylbicyclo[2.2.1]heptane
CID 146718976
6-ethyl-8-methyltricyclo[3.3.0.02,4]octane
CID 123992572
10-ethyl-6-methyltetracyclo[5.4.0.02,5.08,11]undecane
CID 143368983
2-ethyltricyclo[3.2.1.03,8]octane
CID 123682557
1-ethyl-2-(2-ethylcyclopropyl)cyclobutane
CID 123502965
5,7-diethylhexacyclo[9.5.1.13,9.02,10.04,8.012,16]octadecane
CID 59460136
3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 21351604
5-ethyl-N-(3-methylpentan-2-yl)bicyclo[2.1.0]pentan-2-amine
CID 146420615
3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane
CID 123742163
3-ethyl-5,8-dimethyltricyclo[5.2.1.02,6]decane
CID 59392103
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889

Frequently Asked Questions

What is the IUPAC name of 2,5-diethylbicyclo[2.1.0]pentane?
The IUPAC name of 2,5-diethylbicyclo[2.1.0]pentane (CID 123547892) is 2,5-diethylbicyclo[2.1.0]pentane.
What is the SMILES notation for 2,5-diethylbicyclo[2.1.0]pentane?
The canonical SMILES for 2,5-diethylbicyclo[2.1.0]pentane is CCC1CC2C(CC)C12.
What is the InChIKey of 2,5-diethylbicyclo[2.1.0]pentane?
The InChIKey is PETWKNHCDKIFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-6-5-8-7(4-2)9(6)8/h6-9H,3-5H2,1-2H3.
What are the key properties of 2,5-diethylbicyclo[2.1.0]pentane?
2,5-diethylbicyclo[2.1.0]pentane has a molecular weight of 124.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethylbicyclo[2.1.0]pentane is sourced from PubChem (CID 123547892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).