1,4-dimethylbicyclo[2.1.0]pentane;ethane

C9H18 — CID 142181185

IUPAC1,4-dimethylbicyclo[2.1.0]pentane;ethane
SMILESCC.CC12CCC1(C)C2
InChIInChI=1S/C7H12.C2H6/c1-6-3-4-7(6,2)5-6;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyIXVBRDHOSWKKRH-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds

About 1,4-dimethylbicyclo[2.1.0]pentane;ethane

1,4-dimethylbicyclo[2.1.0]pentane;ethane (PubChem CID 142181185) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1,4-dimethylbicyclo[2.1.0]pentane;ethane.

Molecular Properties

Compound Name1,4-dimethylbicyclo[2.1.0]pentane;ethane
PubChem CID142181185
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1,4-dimethylbicyclo[2.1.0]pentane;ethane
SMILESCC.CC12CCC1(C)C2
InChIInChI=1S/C7H12.C2H6/c1-6-3-4-7(6,2)5-6;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyIXVBRDHOSWKKRH-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylbicyclo[2.1.0]pentane;ethane?
The IUPAC name of 1,4-dimethylbicyclo[2.1.0]pentane;ethane (CID 142181185) is 1,4-dimethylbicyclo[2.1.0]pentane;ethane.
What is the SMILES notation for 1,4-dimethylbicyclo[2.1.0]pentane;ethane?
The canonical SMILES for 1,4-dimethylbicyclo[2.1.0]pentane;ethane is CC.CC12CCC1(C)C2.
What is the InChIKey of 1,4-dimethylbicyclo[2.1.0]pentane;ethane?
The InChIKey is IXVBRDHOSWKKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C2H6/c1-6-3-4-7(6,2)5-6;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of 1,4-dimethylbicyclo[2.1.0]pentane;ethane?
1,4-dimethylbicyclo[2.1.0]pentane;ethane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylbicyclo[2.1.0]pentane;ethane is sourced from PubChem (CID 142181185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).