1-methyl-3-oxatricyclo[3.2.1.02,4]octane

C8H12O — CID 141043159

IUPAC1-methyl-3-oxatricyclo[3.2.1.02,4]octane
SMILESCC12CCC(C1)C1OC12
InChIInChI=1S/C8H12O/c1-8-3-2-5(4-8)6-7(8)9-6/h5-7H,2-4H2,1H3
InChIKeySELSLLOUWGPOHM-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.57
Rot. Bonds

About 1-methyl-3-oxatricyclo[3.2.1.02,4]octane

1-methyl-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 141043159) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-methyl-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name1-methyl-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID141043159
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-methyl-3-oxatricyclo[3.2.1.02,4]octane
SMILESCC12CCC(C1)C1OC12
InChIInChI=1S/C8H12O/c1-8-3-2-5(4-8)6-7(8)9-6/h5-7H,2-4H2,1H3
InChIKeySELSLLOUWGPOHM-UHFFFAOYSA-N
XLogP1.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

7-methyltricyclo[5.2.1.02,6]dec-3-ene
CID 139693181
1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol
CID 134961999
1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 12936587
2,9-dimethyl-9-azatricyclo[4.2.1.12,5]decane
CID 57045795
7-ethyl-1-methylbicyclo[2.2.1]heptane
CID 143617242
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 18786802
1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 15579949
(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
CID 148935877
methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 143337545
5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane
CID 3936995
(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol
CID 10931443
(5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane
CID 88891756

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 1-methyl-3-oxatricyclo[3.2.1.02,4]octane (CID 141043159) is 1-methyl-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 1-methyl-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 1-methyl-3-oxatricyclo[3.2.1.02,4]octane is CC12CCC(C1)C1OC12.
What is the InChIKey of 1-methyl-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is SELSLLOUWGPOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-8-3-2-5(4-8)6-7(8)9-6/h5-7H,2-4H2,1H3.
What are the key properties of 1-methyl-3-oxatricyclo[3.2.1.02,4]octane?
1-methyl-3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 124.18 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 141043159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).