1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene

C11H18O — CID 19818771

IUPAC1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene
SMILESCOC1=C(C)C(C)=C(C)C(C)C1
InChIInChI=1S/C11H18O/c1-7-6-11(12-5)10(4)9(3)8(7)2/h7H,6H2,1-5H3
InChIKeyZHUMFQIUAVLRCZ-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.28
Rot. Bonds1

About 1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene

1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene (PubChem CID 19818771) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene
PubChem CID19818771
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene
SMILESCOC1=C(C)C(C)=C(C)C(C)C1
InChIInChI=1S/C11H18O/c1-7-6-11(12-5)10(4)9(3)8(7)2/h7H,6H2,1-5H3
InChIKeyZHUMFQIUAVLRCZ-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene?
The IUPAC name of 1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene (CID 19818771) is 1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene.
What is the SMILES notation for 1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene?
The canonical SMILES for 1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene is COC1=C(C)C(C)=C(C)C(C)C1.
What is the InChIKey of 1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene?
The InChIKey is ZHUMFQIUAVLRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-6-11(12-5)10(4)9(3)8(7)2/h7H,6H2,1-5H3.
What are the key properties of 1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene?
1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene has a molecular weight of 166.26 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3,4,5-tetramethylcyclohexa-1,3-diene is sourced from PubChem (CID 19818771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).