2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane

C14H22O2 — CID 22336746

IUPAC2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane
SMILESCC1(COC2CCCCO2)CC2C=CC1C2
InChIInChI=1S/C14H22O2/c1-14(9-11-5-6-12(14)8-11)10-16-13-4-2-3-7-15-13/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeyWTLXQPKSRWXIIN-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.13
Rot. Bonds3

About 2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane

2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane (PubChem CID 22336746) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane
PubChem CID22336746
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane
SMILESCC1(COC2CCCCO2)CC2C=CC1C2
InChIInChI=1S/C14H22O2/c1-14(9-11-5-6-12(14)8-11)10-16-13-4-2-3-7-15-13/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeyWTLXQPKSRWXIIN-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
CID 14172524
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane
CID 125486239
2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
5-(1-methoxyethoxymethyl)-5-methylbicyclo[2.2.1]hept-2-ene
CID 22336715
[(1S,2R,4S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 15193955
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane
CID 85397589
7-bromo-3-methyl-3-(oxan-2-yloxymethyl)-1-propan-2-yl-3a,4-dihydro-2H-indole-5-carbonitrile
CID 156789605
magnesium;2-ethoxyoxane;dichloride
CID 158421621
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
2-(4,4-dimethylpentoxy)oxane
CID 59628221

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane?
The IUPAC name of 2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane (CID 22336746) is 2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane.
What is the SMILES notation for 2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane?
The canonical SMILES for 2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane is CC1(COC2CCCCO2)CC2C=CC1C2.
What is the InChIKey of 2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane?
The InChIKey is WTLXQPKSRWXIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(9-11-5-6-12(14)8-11)10-16-13-4-2-3-7-15-13/h5-6,11-13H,2-4,7-10H2,1H3.
What are the key properties of 2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane?
2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane has a molecular weight of 222.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane is sourced from PubChem (CID 22336746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).