2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C13H22O2 — CID 141259817

IUPAC2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=COCC1(O)CC2CCC1(C)C2(C)C
InChIInChI=1S/C13H22O2/c1-5-15-9-13(14)8-10-6-7-12(13,4)11(10,2)3/h5,10,14H,1,6-9H2,2-4H3
InChIKeyKTNYLJSRGMSTJB-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.72
Rot. Bonds3

About 2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 141259817) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID141259817
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=COCC1(O)CC2CCC1(C)C2(C)C
InChIInChI=1S/C13H22O2/c1-5-15-9-13(14)8-10-6-7-12(13,4)11(10,2)3/h5,10,14H,1,6-9H2,2-4H3
InChIKeyKTNYLJSRGMSTJB-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
CID 74022055
2-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10130254
(1S,2S,4R)-2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 68839967
2-[(1S,2R,4S)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 40630705
2-[(1S,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 18778152
(1S,2R,4R)-1,7,7-trimethyl-2-(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 175436353
(1S,2S,4R)-1,7,7-trimethyl-2-pentylbicyclo[2.2.1]heptan-2-ol
CID 174767686
propan-2-yl 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 102378092
2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide
CID 10466783
[1,7,7-trimethyl-2-(2-methylprop-2-enoyloxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2-methylprop-2-enoate
CID 163406255
(1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol
CID 98288766
1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol
CID 141237439

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 141259817) is 2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is C=COCC1(O)CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is KTNYLJSRGMSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-15-9-13(14)8-10-6-7-12(13,4)11(10,2)3/h5,10,14H,1,6-9H2,2-4H3.
What are the key properties of 2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 141259817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).