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

C11H18O — CID 12977658

IUPAC5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCOCC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C11H18O/c1-7-8(2)10(4)11(6-12-5)9(7)3/h11H,6H2,1-5H3
InChIKeyYLSOCRAGPCOTHU-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.94
Rot. Bonds2

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

5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 12977658) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID12977658
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCOCC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C11H18O/c1-7-8(2)10(4)11(6-12-5)9(7)3/h11H,6H2,1-5H3
InChIKeyYLSOCRAGPCOTHU-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

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 12977658) is 5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is COCC1C(C)=C(C)C(C)=C1C.
What is the InChIKey of 5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is YLSOCRAGPCOTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-8(2)10(4)11(6-12-5)9(7)3/h11H,6H2,1-5H3.
What are the key properties of 5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
5-(methoxymethyl)-1,2,3,4-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 5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 12977658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).