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

C12H20O — CID 585108

IUPAC5-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCOCCC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-8-9(2)11(4)12(10(8)3)6-7-13-5/h12H,6-7H2,1-5H3
InChIKeyZINMXWBWNKQJKH-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.33
Rot. Bonds3

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

5-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 585108) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID585108
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name5-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCOCCC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-8-9(2)11(4)12(10(8)3)6-7-13-5/h12H,6-7H2,1-5H3
InChIKeyZINMXWBWNKQJKH-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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Related Compounds

Tetramethyl(2-methoxyethyl)cyclopentadiene
CID 15657130
1-(Methoxymethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 15393595
1-Methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene
CID 19818771
2-(2,3,4,5-Tetramethylcyclopenta-1,4-dien-1-yl)ethanol
CID 20641286
1,2,3,4-Tetramethyl-5-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene
CID 67702729
5-(1-Methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 67702740
5-(2-Methoxyethyl)-2-methylcyclohexa-1,3-diene
CID 70336637
6-(2-Methoxyethyl)-1-methylcyclohexa-1,3-diene
CID 70336643
6-(2-Methoxyethyl)-2-methylcyclohexa-1,3-diene
CID 70336644
5-(Methoxymethyl)-1,4-dimethylcyclopenta-1,3-diene
CID 89312208
5-(Methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 102093940
2-(2,3,4,5-Tetramethylcyclopenta-2,4-dien-1-yl)ethanol
CID 102577549

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 585108) is 5-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is COCCC1C(C)=C(C)C(C)=C1C.
What is the InChIKey of 5-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is ZINMXWBWNKQJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-8-9(2)11(4)12(10(8)3)6-7-13-5/h12H,6-7H2,1-5H3.
What are the key properties of 5-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
5-(2-methoxyethyl)-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-(2-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 585108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).