3-methoxy-1,2-dimethylcyclopenta-1,3-diene

C8H12O — CID 54494268

IUPAC3-methoxy-1,2-dimethylcyclopenta-1,3-diene
SMILESCOC1=CCC(C)=C1C
InChIInChI=1S/C8H12O/c1-6-4-5-8(9-3)7(6)2/h5H,4H2,1-3H3
InChIKeyXXYKMNFXIUIULG-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.26
Rot. Bonds1

About 3-methoxy-1,2-dimethylcyclopenta-1,3-diene

3-methoxy-1,2-dimethylcyclopenta-1,3-diene (PubChem CID 54494268) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-methoxy-1,2-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name3-methoxy-1,2-dimethylcyclopenta-1,3-diene
PubChem CID54494268
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-methoxy-1,2-dimethylcyclopenta-1,3-diene
SMILESCOC1=CCC(C)=C1C
InChIInChI=1S/C8H12O/c1-6-4-5-8(9-3)7(6)2/h5H,4H2,1-3H3
InChIKeyXXYKMNFXIUIULG-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,2-dimethylcyclopenta-1,3-diene?
The IUPAC name of 3-methoxy-1,2-dimethylcyclopenta-1,3-diene (CID 54494268) is 3-methoxy-1,2-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for 3-methoxy-1,2-dimethylcyclopenta-1,3-diene?
The canonical SMILES for 3-methoxy-1,2-dimethylcyclopenta-1,3-diene is COC1=CCC(C)=C1C.
What is the InChIKey of 3-methoxy-1,2-dimethylcyclopenta-1,3-diene?
The InChIKey is XXYKMNFXIUIULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-4-5-8(9-3)7(6)2/h5H,4H2,1-3H3.
What are the key properties of 3-methoxy-1,2-dimethylcyclopenta-1,3-diene?
3-methoxy-1,2-dimethylcyclopenta-1,3-diene has a molecular weight of 124.18 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,2-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 54494268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).