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

C12H16O4 — CID 139765888

IUPACmethyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate
SMILESC=C1C(OC)=C(OC)C=CC1CC(=O)OC
InChIInChI=1S/C12H16O4/c1-8-9(7-11(13)15-3)5-6-10(14-2)12(8)16-4/h5-6,9H,1,7H2,2-4H3
InChIKeyNBZTZUCDRGUTPQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.80
Rot. Bonds4

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

methyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate (PubChem CID 139765888) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate
PubChem CID139765888
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate
SMILESC=C1C(OC)=C(OC)C=CC1CC(=O)OC
InChIInChI=1S/C12H16O4/c1-8-9(7-11(13)15-3)5-6-10(14-2)12(8)16-4/h5-6,9H,1,7H2,2-4H3
InChIKeyNBZTZUCDRGUTPQ-UHFFFAOYSA-N
XLogP1.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2,3-dihydro-4-ethoxy-2,2,6-trimethylbenzoate
CID 5043437
Methyl 2-(3-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-yl)acetate
CID 53348316
Ethyl 4-methoxy-2,6-dimethylcyclohexa-1,3-diene-1-carboxylate
CID 92016912
Methyl 6-(2-oxo-3,4-dihydropyran-6-yl)cyclohepta-1,3,5-triene-1-carboxylate
CID 162411738
4-Hydroxy-3-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)propyl]-6-methylpyran-2-one
CID 54696250
Ethyl 2-(4-methoxycyclohexa-2,4-dien-1-yl)acetate
CID 11045947
Methyl 4-methoxycyclohexa-1,3-diene-1-carboxylate
CID 12829804
Methyl 5-cyclohexa-1,5-dien-1-yloxy-2,2-dimethylpentanoate
CID 21280339
2,6,6-Trimethyl-4-ethoxy-1,3-cyclohexadien-1-carboxylic acid methyl ester
CID 53641044
Ethyl 3-(4-methoxybenzene-6-id-1-yl)butanoate;tungsten(2+)
CID 58005413
Methyl 5-cyclopentylidene-4-methoxy-6-methylcyclohexa-1,3-diene-1-carboxylate
CID 70084866
Dimethyl 3-ethyl-2-prop-2-enylidenepentanedioate
CID 88654126

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate?
The IUPAC name of methyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate (CID 139765888) is methyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate.
What is the SMILES notation for methyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate?
The canonical SMILES for methyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate is C=C1C(OC)=C(OC)C=CC1CC(=O)OC.
What is the InChIKey of methyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate?
The InChIKey is NBZTZUCDRGUTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8-9(7-11(13)15-3)5-6-10(14-2)12(8)16-4/h5-6,9H,1,7H2,2-4H3.
What are the key properties of methyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate?
methyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate has a molecular weight of 224.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-yl)acetate is sourced from PubChem (CID 139765888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).