6-methoxy-1,2,3,3-tetramethylcyclohexene

C11H20O — CID 11041115

IUPAC6-methoxy-1,2,3,3-tetramethylcyclohexene
SMILESCOC1CCC(C)(C)C(C)=C1C
InChIInChI=1S/C11H20O/c1-8-9(2)11(3,4)7-6-10(8)12-5/h10H,6-7H2,1-5H3
InChIKeyCNRJXCZDYFPPJN-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds1

About 6-methoxy-1,2,3,3-tetramethylcyclohexene

6-methoxy-1,2,3,3-tetramethylcyclohexene (PubChem CID 11041115) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-methoxy-1,2,3,3-tetramethylcyclohexene.

Molecular Properties

Compound Name6-methoxy-1,2,3,3-tetramethylcyclohexene
PubChem CID11041115
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name6-methoxy-1,2,3,3-tetramethylcyclohexene
SMILESCOC1CCC(C)(C)C(C)=C1C
InChIInChI=1S/C11H20O/c1-8-9(2)11(3,4)7-6-10(8)12-5/h10H,6-7H2,1-5H3
InChIKeyCNRJXCZDYFPPJN-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-methoxy-1,2,3,3-tetramethylcyclohexene?
The IUPAC name of 6-methoxy-1,2,3,3-tetramethylcyclohexene (CID 11041115) is 6-methoxy-1,2,3,3-tetramethylcyclohexene.
What is the SMILES notation for 6-methoxy-1,2,3,3-tetramethylcyclohexene?
The canonical SMILES for 6-methoxy-1,2,3,3-tetramethylcyclohexene is COC1CCC(C)(C)C(C)=C1C.
What is the InChIKey of 6-methoxy-1,2,3,3-tetramethylcyclohexene?
The InChIKey is CNRJXCZDYFPPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8-9(2)11(3,4)7-6-10(8)12-5/h10H,6-7H2,1-5H3.
What are the key properties of 6-methoxy-1,2,3,3-tetramethylcyclohexene?
6-methoxy-1,2,3,3-tetramethylcyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,3-tetramethylcyclohexene is sourced from PubChem (CID 11041115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).