2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane

C15H22O — CID 21248007

IUPAC2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane
SMILESCCC1CCCOC1.CCc1cc2ccc1=2
InChIInChI=1S/C8H8.C7H14O/c1-2-6-5-7-3-4-8(6)7;1-2-7-4-3-5-8-6-7/h3-5H,2H2,1H3;7H,2-6H2,1H3
InChIKeyMIUUOPWCZCPEBO-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.67
Rot. Bonds2

About 2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane

2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane (PubChem CID 21248007) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane.

Molecular Properties

Compound Name2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane
PubChem CID21248007
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane
SMILESCCC1CCCOC1.CCc1cc2ccc1=2
InChIInChI=1S/C8H8.C7H14O/c1-2-6-5-7-3-4-8(6)7;1-2-7-4-3-5-8-6-7/h3-5H,2H2,1H3;7H,2-6H2,1H3
InChIKeyMIUUOPWCZCPEBO-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane 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

3-ethyloxolane
CID 10996972
(3-chloro-4-methylphenyl) oxan-3-ylmethanesulfonate
CID 166237619
butane;3-ethyloxolane
CID 143075797
6-ethyl-1,4,8,12-tetraoxacyclopentadecane
CID 123605325
N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63741623
1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738232
1-(oxan-3-yl)butan-2-one
CID 103847209
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
N-(oxan-3-ylmethyl)-2-propylaniline
CID 63737543
methyl 4-[2-(oxan-3-ylmethylamino)-2-oxoethyl]benzoate
CID 122151417

Frequently Asked Questions

What is the IUPAC name of 2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane?
The IUPAC name of 2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane (CID 21248007) is 2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane.
What is the SMILES notation for 2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane?
The canonical SMILES for 2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane is CCC1CCCOC1.CCc1cc2ccc1=2.
What is the InChIKey of 2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane?
The InChIKey is MIUUOPWCZCPEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H14O/c1-2-6-5-7-3-4-8(6)7;1-2-7-4-3-5-8-6-7/h3-5H,2H2,1H3;7H,2-6H2,1H3.
What are the key properties of 2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane?
2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane has a molecular weight of 218.34 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbicyclo[2.2.0]hexa-1(4),2,5-triene;3-ethyloxane is sourced from PubChem (CID 21248007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).