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

C12H20O — CID 15657130

IUPAC1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
SMILESCOCCC1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C12H20O/c1-8-9(2)11(4)12(10(8)3)6-7-13-5/h10H,6-7H2,1-5H3
InChIKeyZRVUMYUOQLCRAM-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.33
Rot. Bonds3

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

1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene (PubChem CID 15657130) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
PubChem CID15657130
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
SMILESCOCCC1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C12H20O/c1-8-9(2)11(4)12(10(8)3)6-7-13-5/h10H,6-7H2,1-5H3
InChIKeyZRVUMYUOQLCRAM-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 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene (CID 15657130) is 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene is COCCC1=C(C)C(C)=C(C)C1C.
What is the InChIKey of 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is ZRVUMYUOQLCRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-8-9(2)11(4)12(10(8)3)6-7-13-5/h10H,6-7H2,1-5H3.
What are the key properties of 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene?
1-(2-methoxyethyl)-2,3,4,5-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 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 15657130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).