4-methoxy-4-methyl-1-propan-2-ylcyclohexene

C11H20O — CID 14113117

IUPAC4-methoxy-4-methyl-1-propan-2-ylcyclohexene
SMILESCOC1(C)CC=C(C(C)C)CC1
InChIInChI=1S/C11H20O/c1-9(2)10-5-7-11(3,12-4)8-6-10/h5,9H,6-8H2,1-4H3
InChIKeyXXEURKYKWMZFPP-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds2

About 4-methoxy-4-methyl-1-propan-2-ylcyclohexene

4-methoxy-4-methyl-1-propan-2-ylcyclohexene (PubChem CID 14113117) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-propan-2-ylcyclohexene.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-propan-2-ylcyclohexene
PubChem CID14113117
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-methoxy-4-methyl-1-propan-2-ylcyclohexene
SMILESCOC1(C)CC=C(C(C)C)CC1
InChIInChI=1S/C11H20O/c1-9(2)10-5-7-11(3,12-4)8-6-10/h5,9H,6-8H2,1-4H3
InChIKeyXXEURKYKWMZFPP-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 4-methoxy-4-methyl-1-propan-2-ylcyclohexene?
The IUPAC name of 4-methoxy-4-methyl-1-propan-2-ylcyclohexene (CID 14113117) is 4-methoxy-4-methyl-1-propan-2-ylcyclohexene.
What is the SMILES notation for 4-methoxy-4-methyl-1-propan-2-ylcyclohexene?
The canonical SMILES for 4-methoxy-4-methyl-1-propan-2-ylcyclohexene is COC1(C)CC=C(C(C)C)CC1.
What is the InChIKey of 4-methoxy-4-methyl-1-propan-2-ylcyclohexene?
The InChIKey is XXEURKYKWMZFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)10-5-7-11(3,12-4)8-6-10/h5,9H,6-8H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-propan-2-ylcyclohexene?
4-methoxy-4-methyl-1-propan-2-ylcyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-propan-2-ylcyclohexene is sourced from PubChem (CID 14113117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).