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

C12H20O — CID 102093940

IUPAC5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCOCC1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-8-9(2)11(4)12(5,7-13-6)10(8)3/h7H2,1-6H3
InChIKeyVWUZZIAPEFUUMW-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.33
Rot. Bonds2

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

5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 102093940) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID102093940
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCOCC1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-8-9(2)11(4)12(5,7-13-6)10(8)3/h7H2,1-6H3
InChIKeyVWUZZIAPEFUUMW-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

1,3-Cyclopentadiene, 1,2,3,4-tetramethyl-5-(2-methoxyethyl)-
CID 585108
(1,2,3,4,5-Pentamethylcyclopenta-2,4-dien-1-yl)methanol
CID 15202331
5-(1-Methoxyethyl)-5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 22140459
5,5-Bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 23204321
3-Ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene
CID 67702728
1,2,3,4-Tetramethyl-5-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene
CID 67702729
2-Ethyl-1-methoxy-3,4,5,5-tetramethylcyclopenta-1,3-diene
CID 67702739
5-(1-Methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 67702740
[1-(Methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol
CID 141130187
3-(2-Methoxyethyl)-1,2,5,5-tetramethylcyclopenta-1,3-diene;titanium(4+);trichloride
CID 173140708
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

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of 5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 102093940) is 5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for 5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene is COCC1(C)C(C)=C(C)C(C)=C1C.
What is the InChIKey of 5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is VWUZZIAPEFUUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-8-9(2)11(4)12(5,7-13-6)10(8)3/h7H2,1-6H3.
What are the key properties of 5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 180.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 102093940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).