9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C20H24O — CID 139969688

IUPAC9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESCC1(OCc2ccccc2)CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C20H24O/c1-20(21-12-13-5-3-2-4-6-13)11-16-10-17(20)19-15-8-7-14(9-15)18(16)19/h2-8,14-19H,9-12H2,1H3
InChIKeyWLBPOOSHFRRRMO-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.44
Rot. Bonds3

About 9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene

9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 139969688) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID139969688
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESCC1(OCc2ccccc2)CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C20H24O/c1-20(21-12-13-5-3-2-4-6-13)11-16-10-17(20)19-15-8-7-14(9-15)18(16)19/h2-8,14-19H,9-12H2,1H3
InChIKeyWLBPOOSHFRRRMO-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(tert-butyl-chloro-phenylsilyl) 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 140513953
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
tert-butyl (4-methyl-4-hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-enyl) carbonate
CID 139797200
9-(1-cyclohexyloxyethoxymethyl)-9-methyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 139891372
2-phenyl-1-(3-tricyclo[3.2.1.02,4]oct-6-enyl)ethanone
CID 102493634
tert-butyl 2-(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)acetate
CID 139807438
ethyl (6S)-4-aminotetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 163831098
1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol
CID 134987886
1-phenylmethoxyadamantan-2-one
CID 67017814
1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175205971
methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 139969688) is 9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene is CC1(OCc2ccccc2)CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is WLBPOOSHFRRRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-20(21-12-13-5-3-2-4-6-13)11-16-10-17(20)19-15-8-7-14(9-15)18(16)19/h2-8,14-19H,9-12H2,1H3.
What are the key properties of 9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 280.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-phenylmethoxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 139969688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).