2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane

C10H18 — CID 123379170

IUPAC2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane
SMILESCCC1(C)CC2CCC21C
InChIInChI=1S/C10H18/c1-4-9(2)7-8-5-6-10(8,9)3/h8H,4-7H2,1-3H3
InChIKeyWWNQTRDXRDGZPT-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds1

About 2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane

2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane (PubChem CID 123379170) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane
PubChem CID123379170
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane
SMILESCCC1(C)CC2CCC21C
InChIInChI=1S/C10H18/c1-4-9(2)7-8-5-6-10(8,9)3/h8H,4-7H2,1-3H3
InChIKeyWWNQTRDXRDGZPT-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

Analyze 2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane
CID 142049190
1,2-dimethylbicyclo[3.1.0]hexan-2-amine
CID 152586556
2,6,6-trimethyl-2-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 23528933
1-ethylbicyclo[2.2.0]hexane
CID 90977886
3-ethyl-3,3a,7-trimethyl-7-(4-methylhexan-3-yl)-2,4,5,6,8,9,10,10a-octahydro-1H-cyclopenta[9]annulene
CID 123177893
1,3-diethyl-1,2,2-trimethylcyclopentane
CID 123762745
3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol
CID 89090393
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane
CID 143682389
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328467

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane?
The IUPAC name of 2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane (CID 123379170) is 2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane.
What is the SMILES notation for 2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane?
The canonical SMILES for 2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane is CCC1(C)CC2CCC21C.
What is the InChIKey of 2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane?
The InChIKey is WWNQTRDXRDGZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-9(2)7-8-5-6-10(8,9)3/h8H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane?
2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane has a molecular weight of 138.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane is sourced from PubChem (CID 123379170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).