6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene

C11H18O — CID 123371365

IUPAC6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1C=C(C(C)C)C=CC1C
InChIInChI=1S/C11H18O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-9,11H,1-4H3
InChIKeyZQXPSCZLIHFJLW-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.79
Rot. Bonds2

About 6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene

6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene (PubChem CID 123371365) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene
PubChem CID123371365
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1C=C(C(C)C)C=CC1C
InChIInChI=1S/C11H18O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-9,11H,1-4H3
InChIKeyZQXPSCZLIHFJLW-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene (CID 123371365) is 6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene is COC1C=C(C(C)C)C=CC1C.
What is the InChIKey of 6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is ZQXPSCZLIHFJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-9,11H,1-4H3.
What are the key properties of 6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene?
6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 166.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-2-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 123371365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).