3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene

C12H20O — CID 173140709

IUPAC3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene
SMILESCOCCC1=CC(C)(C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-9-10(2)12(3,4)8-11(9)6-7-13-5/h8H,6-7H2,1-5H3
InChIKeyPCBIVNIXJWWOAZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.33
Rot. Bonds3

About 3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene

3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene (PubChem CID 173140709) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene
PubChem CID173140709
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene
SMILESCOCCC1=CC(C)(C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-9-10(2)12(3,4)8-11(9)6-7-13-5/h8H,6-7H2,1-5H3
InChIKeyPCBIVNIXJWWOAZ-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene (CID 173140709) is 3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene is COCCC1=CC(C)(C)C(C)=C1C.
What is the InChIKey of 3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is PCBIVNIXJWWOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9-10(2)12(3,4)8-11(9)6-7-13-5/h8H,6-7H2,1-5H3.
What are the key properties of 3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene?
3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 180.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 173140709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).