1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene

C11H18O — CID 15393595

IUPAC1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
SMILESCOCC1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C11H18O/c1-7-8(2)10(4)11(6-12-5)9(7)3/h9H,6H2,1-5H3
InChIKeyICIOIWMTIQLTDZ-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.94
Rot. Bonds2

About 1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene

1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene (PubChem CID 15393595) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
PubChem CID15393595
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
SMILESCOCC1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C11H18O/c1-7-8(2)10(4)11(6-12-5)9(7)3/h9H,6H2,1-5H3
InChIKeyICIOIWMTIQLTDZ-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(methoxymethyl)-2,3,4,5-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 1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene (CID 15393595) is 1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene is COCC1=C(C)C(C)=C(C)C1C.
What is the InChIKey of 1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is ICIOIWMTIQLTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-8(2)10(4)11(6-12-5)9(7)3/h9H,6H2,1-5H3.
What are the key properties of 1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 166.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 15393595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).