methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate

C11H14O3 — CID 139765828

IUPACmethyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate
SMILESC=C1C(OC)=CC=CC1CC(=O)OC
InChIInChI=1S/C11H14O3/c1-8-9(7-11(12)14-3)5-4-6-10(8)13-2/h4-6,9H,1,7H2,2-3H3
InChIKeyYDHNMTSAUUASIT-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.82
Rot. Bonds3

About methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate

methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate (PubChem CID 139765828) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate
PubChem CID139765828
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate
SMILESC=C1C(OC)=CC=CC1CC(=O)OC
InChIInChI=1S/C11H14O3/c1-8-9(7-11(12)14-3)5-4-6-10(8)13-2/h4-6,9H,1,7H2,2-3H3
InChIKeyYDHNMTSAUUASIT-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate?
The IUPAC name of methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate (CID 139765828) is methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate?
The canonical SMILES for methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate is C=C1C(OC)=CC=CC1CC(=O)OC.
What is the InChIKey of methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate?
The InChIKey is YDHNMTSAUUASIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-9(7-11(12)14-3)5-4-6-10(8)13-2/h4-6,9H,1,7H2,2-3H3.
What are the key properties of methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate?
methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate has a molecular weight of 194.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate is sourced from PubChem (CID 139765828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).