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

C12H20O — CID 100975624

IUPAC5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCCOCC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-6-13-7-12-10(4)8(2)9(3)11(12)5/h12H,6-7H2,1-5H3
InChIKeyQIZGUQGADOGZGY-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.33
Rot. Bonds3

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

5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 100975624) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID100975624
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCCOCC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-6-13-7-12-10(4)8(2)9(3)11(12)5/h12H,6-7H2,1-5H3
InChIKeyQIZGUQGADOGZGY-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

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 100975624) is 5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is CCOCC1C(C)=C(C)C(C)=C1C.
What is the InChIKey of 5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is QIZGUQGADOGZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-6-13-7-12-10(4)8(2)9(3)11(12)5/h12H,6-7H2,1-5H3.
What are the key properties of 5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
5-(ethoxymethyl)-1,2,3,4-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 5-(ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 100975624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).