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

C13H22O2 — CID 23204321

IUPAC5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCOCC1(COC)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C13H22O2/c1-9-10(2)12(4)13(7-14-5,8-15-6)11(9)3/h7-8H2,1-6H3
InChIKeyNUPABKVXQKZAHY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds4

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

5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 23204321) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID23204321
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCOCC1(COC)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C13H22O2/c1-9-10(2)12(4)13(7-14-5,8-15-6)11(9)3/h7-8H2,1-6H3
InChIKeyNUPABKVXQKZAHY-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-Methoxyethyl)-5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 22140459
5-(Methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 102093940
[2,3,4,5-Tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol
CID 141130168
[1-(Methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol
CID 141130187
[1-(Ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol
CID 141130191
3-Tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene
CID 142754027
5-(Methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 12977658
2-(2-Methoxyethyl)-1,3,4,5-tetramethylcyclopenta-1,3-diene
CID 15657131
5-(Ethoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 100975624

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 23204321) is 5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is COCC1(COC)C(C)=C(C)C(C)=C1C.
What is the InChIKey of 5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is NUPABKVXQKZAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9-10(2)12(4)13(7-14-5,8-15-6)11(9)3/h7-8H2,1-6H3.
What are the key properties of 5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene has a molecular weight of 210.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 23204321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).