2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene

C12H18O2 — CID 134694410

IUPAC2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene
SMILESC=C(C)C1(C)C=C(OC)C=CC1OC
InChIInChI=1S/C12H18O2/c1-9(2)12(3)8-10(13-4)6-7-11(12)14-5/h6-8,11H,1H2,2-5H3
InChIKeyMEXSOMPECKUKMJ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.68
Rot. Bonds3

About 2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene

2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene (PubChem CID 134694410) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene
PubChem CID134694410
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene
SMILESC=C(C)C1(C)C=C(OC)C=CC1OC
InChIInChI=1S/C12H18O2/c1-9(2)12(3)8-10(13-4)6-7-11(12)14-5/h6-8,11H,1H2,2-5H3
InChIKeyMEXSOMPECKUKMJ-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene (CID 134694410) is 2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene is C=C(C)C1(C)C=C(OC)C=CC1OC.
What is the InChIKey of 2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene?
The InChIKey is MEXSOMPECKUKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(2)12(3)8-10(13-4)6-7-11(12)14-5/h6-8,11H,1H2,2-5H3.
What are the key properties of 2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene?
2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene has a molecular weight of 194.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-6-methyl-6-prop-1-en-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 134694410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).