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

C11H20O — CID 564572

IUPAC6-methoxy-1-methyl-4-propan-2-ylcyclohexene
SMILESCOC1CC(C(C)C)CC=C1C
InChIInChI=1S/C11H20O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5,8,10-11H,6-7H2,1-4H3
InChIKeyNMNRQSITLBEMHI-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.01
Rot. Bonds2

About 6-methoxy-1-methyl-4-propan-2-ylcyclohexene

6-methoxy-1-methyl-4-propan-2-ylcyclohexene (PubChem CID 564572) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-methoxy-1-methyl-4-propan-2-ylcyclohexene.

Molecular Properties

Compound Name6-methoxy-1-methyl-4-propan-2-ylcyclohexene
PubChem CID564572
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name6-methoxy-1-methyl-4-propan-2-ylcyclohexene
SMILESCOC1CC(C(C)C)CC=C1C
InChIInChI=1S/C11H20O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5,8,10-11H,6-7H2,1-4H3
InChIKeyNMNRQSITLBEMHI-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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-methyl-4-propan-2-ylcyclohexene?
The IUPAC name of 6-methoxy-1-methyl-4-propan-2-ylcyclohexene (CID 564572) is 6-methoxy-1-methyl-4-propan-2-ylcyclohexene.
What is the SMILES notation for 6-methoxy-1-methyl-4-propan-2-ylcyclohexene?
The canonical SMILES for 6-methoxy-1-methyl-4-propan-2-ylcyclohexene is COC1CC(C(C)C)CC=C1C.
What is the InChIKey of 6-methoxy-1-methyl-4-propan-2-ylcyclohexene?
The InChIKey is NMNRQSITLBEMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5,8,10-11H,6-7H2,1-4H3.
What are the key properties of 6-methoxy-1-methyl-4-propan-2-ylcyclohexene?
6-methoxy-1-methyl-4-propan-2-ylcyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-4-propan-2-ylcyclohexene is sourced from PubChem (CID 564572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).