methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate

C11H16O4 — CID 130437443

IUPACmethyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate
SMILESCOC(=O)CC1C=C(OC)C(OC)=CC1
InChIInChI=1S/C11H16O4/c1-13-9-5-4-8(6-10(9)14-2)7-11(12)15-3/h5-6,8H,4,7H2,1-3H3
InChIKeyQBAARLUIADGUNF-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.63
Rot. Bonds4

About methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate

methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate (PubChem CID 130437443) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate
PubChem CID130437443
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namemethyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate
SMILESCOC(=O)CC1C=C(OC)C(OC)=CC1
InChIInChI=1S/C11H16O4/c1-13-9-5-4-8(6-10(9)14-2)7-11(12)15-3/h5-6,8H,4,7H2,1-3H3
InChIKeyQBAARLUIADGUNF-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate?
The IUPAC name of methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate (CID 130437443) is methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate.
What is the SMILES notation for methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate?
The canonical SMILES for methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate is COC(=O)CC1C=C(OC)C(OC)=CC1.
What is the InChIKey of methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate?
The InChIKey is QBAARLUIADGUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-13-9-5-4-8(6-10(9)14-2)7-11(12)15-3/h5-6,8H,4,7H2,1-3H3.
What are the key properties of methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate?
methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate has a molecular weight of 212.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dimethoxycyclohexa-2,4-dien-1-yl)acetate is sourced from PubChem (CID 130437443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).