1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene

C18H28O2 — CID 141081833

IUPAC1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
SMILESCOC12C=CC(C3CC(C(C)C)CCC3C)(C=C1C)O2
InChIInChI=1S/C18H28O2/c1-12(2)15-7-6-13(3)16(10-15)17-8-9-18(19-5,20-17)14(4)11-17/h8-9,11-13,15-16H,6-7,10H2,1-5H3
InChIKeyFDOPUTJFUWJKJD-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.32
Rot. Bonds3

About 1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene

1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene (PubChem CID 141081833) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
PubChem CID141081833
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
SMILESCOC12C=CC(C3CC(C(C)C)CCC3C)(C=C1C)O2
InChIInChI=1S/C18H28O2/c1-12(2)15-7-6-13(3)16(10-15)17-8-9-18(19-5,20-17)14(4)11-17/h8-9,11-13,15-16H,6-7,10H2,1-5H3
InChIKeyFDOPUTJFUWJKJD-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate
CID 11821149
[2,5-dimethyl-1-[(E)-prop-1-enyl]cyclohexyl] methyl carbonate
CID 134854617
(3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane]
CID 134941614
1-(3-Methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene
CID 22618969
6-Methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene
CID 22619035
2,4-Dimethyl-2-(5,5,8,8-tetramethyl-1,6,7,8a-tetrahydronaphthalen-2-yl)-1,3-dioxole
CID 141201650
1-Ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane
CID 155615817
1-Ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane
CID 155615840
1-Ethyl-4-[(2-ethyl-1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane
CID 155615851
methyl [(1R,2S,5R)-5-methyl-1-[(E)-3-methylbut-1-enyl]-2-propan-2-ylcyclohexyl] carbonate
CID 10636655
methyl [(1S,2R,5S)-5-methyl-1-[(E)-3-methylbut-1-enyl]-2-propan-2-ylcyclohexyl] carbonate
CID 11000513
methyl [(1S,2R,5S)-5-methyl-2-propan-2-yl-1-[(E)-prop-1-enyl]cyclohexyl] carbonate
CID 11054218

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene (CID 141081833) is 1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene is COC12C=CC(C3CC(C(C)C)CCC3C)(C=C1C)O2.
What is the InChIKey of 1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is FDOPUTJFUWJKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-12(2)15-7-6-13(3)16(10-15)17-8-9-18(19-5,20-17)14(4)11-17/h8-9,11-13,15-16H,6-7,10H2,1-5H3.
What are the key properties of 1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene?
1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 276.42 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-(2-methyl-5-propan-2-ylcyclohexyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 141081833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).