3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane

C12H18O2 — CID 139967522

IUPAC3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane
SMILESCC1(COC2CC3C=CC2C3)COC1
InChIInChI=1S/C12H18O2/c1-12(6-13-7-12)8-14-11-5-9-2-3-10(11)4-9/h2-3,9-11H,4-8H2,1H3
InChIKeyAAKNAJIICDZBDH-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.00
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane

3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane (PubChem CID 139967522) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane
PubChem CID139967522
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane
SMILESCC1(COC2CC3C=CC2C3)COC1
InChIInChI=1S/C12H18O2/c1-12(6-13-7-12)8-14-11-5-9-2-3-10(11)4-9/h2-3,9-11H,4-8H2,1H3
InChIKeyAAKNAJIICDZBDH-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.00
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

5-Methoxybicyclo[2.2.1]hept-2-ene
CID 140197
7-[(2-Methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene
CID 12835247
5-Butoxy-2-norbornene
CID 22335856
5-(Cyclohexyloxy)bicyclo[2.2.1]hept-2-ene
CID 22754161
Ethylene 5norbornen-2-yl acetate
CID 69727795
7-Methoxybicyclo[2.2.1]hept-2-ene
CID 139370
(1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene
CID 15576015
(1R,4R,5R)-5-methoxybicyclo[2.2.1]hept-2-ene
CID 21122264
5,6-Dideuterio-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene
CID 119079260
(1R,4S,7r)-7-(heptyloxy)bicyclo[2.2.1]hept-2-ene
CID 169432261
5-Butan-2-yloxybicyclo[2.2.1]hept-2-ene
CID 351941
5-Propan-2-yloxybicyclo[2.2.1]hept-2-ene
CID 15264208

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane (CID 139967522) is 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane is CC1(COC2CC3C=CC2C3)COC1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane?
The InChIKey is AAKNAJIICDZBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(6-13-7-12)8-14-11-5-9-2-3-10(11)4-9/h2-3,9-11H,4-8H2,1H3.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane?
3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane has a molecular weight of 194.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enyloxymethyl)-3-methyloxetane is sourced from PubChem (CID 139967522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).