6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene

C11H18O — CID 69390197

IUPAC6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene
SMILESCCC1(C)CC=CC(OC)=C1C
InChIInChI=1S/C11H18O/c1-5-11(3)8-6-7-10(12-4)9(11)2/h6-7H,5,8H2,1-4H3
InChIKeyDSPXVVAXWXWCIM-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.28
Rot. Bonds2

About 6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene

6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene (PubChem CID 69390197) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene
PubChem CID69390197
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene
SMILESCCC1(C)CC=CC(OC)=C1C
InChIInChI=1S/C11H18O/c1-5-11(3)8-6-7-10(12-4)9(11)2/h6-7H,5,8H2,1-4H3
InChIKeyDSPXVVAXWXWCIM-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

t-Butylpyran
CID 59346845
Methoxydimethyloctadiene
CID 87220842
Dipyrylpropane
CID 90229573
3-Methoxy-1-methyl-1,3-cyclohexadiene
CID 145334
3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene
CID 145335
(5R)-5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene
CID 89664253
8,8-Diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene
CID 123444530
5-Ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene
CID 123834177
5-Fluoro-2-methoxy-1-methylcyclohexa-1,3-diene
CID 143108388
(3E)-2-fluoro-3-methoxy-6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 145367161
3-Fluoro-4-methoxy-1,7,7-trimethylcyclohepta-1,3,5-triene
CID 164032726
6-methoxy-4aH-benzo[7]annulene
CID 90917792

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene (CID 69390197) is 6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene is CCC1(C)CC=CC(OC)=C1C.
What is the InChIKey of 6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene?
The InChIKey is DSPXVVAXWXWCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-11(3)8-6-7-10(12-4)9(11)2/h6-7H,5,8H2,1-4H3.
What are the key properties of 6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene?
6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene has a molecular weight of 166.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methoxy-1,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 69390197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).