3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane

C17H24O2 — CID 139967498

IUPAC3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane
SMILESCC1(COC2CC3CC2C2C4C=CC(C4)C32)COC1
InChIInChI=1S/C17H24O2/c1-17(7-18-8-17)9-19-14-6-12-5-13(14)16-11-3-2-10(4-11)15(12)16/h2-3,10-16H,4-9H2,1H3
InChIKeyWSPSUFYHRSWIED-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.89
Rot. Bonds3

About 3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane

3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane (PubChem CID 139967498) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane
PubChem CID139967498
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane
SMILESCC1(COC2CC3CC2C2C4C=CC(C4)C32)COC1
InChIInChI=1S/C17H24O2/c1-17(7-18-8-17)9-19-14-6-12-5-13(14)16-11-3-2-10(4-11)15(12)16/h2-3,10-16H,4-9H2,1H3
InChIKeyWSPSUFYHRSWIED-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene
CID 139711718
[(1R,2R,3S,4R,6R,7S,8R)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate
CID 124895627
3-[3-methyl-6-[(3-methyloxetan-3-yl)methoxy]-2-bicyclo[2.2.1]heptanyl]-4-[3-methyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]oxolane-2,5-dione
CID 58715890
9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172688740
(3-ethyloxetan-3-yl)methoxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 139967533
15-methoxy-19-oxaoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene
CID 139828951
4-hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-enyl acetate
CID 139797076
9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 139978466
19-oxaoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-en-15-yl methanesulfonate
CID 139828976
ethoxy(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane
CID 154080236
9-[(2-methylpropan-2-yl)oxymethyl]tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 139797174
(1S,2S,3R,6R,7S,8S,9S)-9-chlorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 98505466

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane?
The IUPAC name of 3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane (CID 139967498) is 3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane.
What is the SMILES notation for 3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane?
The canonical SMILES for 3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane is CC1(COC2CC3CC2C2C4C=CC(C4)C32)COC1.
What is the InChIKey of 3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane?
The InChIKey is WSPSUFYHRSWIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-17(7-18-8-17)9-19-14-6-12-5-13(14)16-11-3-2-10(4-11)15(12)16/h2-3,10-16H,4-9H2,1H3.
What are the key properties of 3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane?
3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane has a molecular weight of 260.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane is sourced from PubChem (CID 139967498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).