6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one

C11H14O3 — CID 100982195

IUPAC6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one
SMILESC=CCOC1(OC)C=C(C)C=CC1=O
InChIInChI=1S/C11H14O3/c1-4-7-14-11(13-3)8-9(2)5-6-10(11)12/h4-6,8H,1,7H2,2-3H3
InChIKeyVVKBUKZRWKGOTK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.62
Rot. Bonds4

About 6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one

6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one (PubChem CID 100982195) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one
PubChem CID100982195
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one
SMILESC=CCOC1(OC)C=C(C)C=CC1=O
InChIInChI=1S/C11H14O3/c1-4-7-14-11(13-3)8-9(2)5-6-10(11)12/h4-6,8H,1,7H2,2-3H3
InChIKeyVVKBUKZRWKGOTK-UHFFFAOYSA-N
XLogP1.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one?
The IUPAC name of 6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one (CID 100982195) is 6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one is C=CCOC1(OC)C=C(C)C=CC1=O.
What is the InChIKey of 6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one?
The InChIKey is VVKBUKZRWKGOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-7-14-11(13-3)8-9(2)5-6-10(11)12/h4-6,8H,1,7H2,2-3H3.
What are the key properties of 6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one?
6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-6-prop-2-enoxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 100982195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).