9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C22H22O — CID 139978466

IUPAC9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC1=CC2CC1C1C3CC(Oc4cccc5ccccc45)C(C3)C21
InChIInChI=1S/C22H22O/c1-2-6-17-13(4-1)5-3-7-19(17)23-20-12-16-11-18(20)22-15-9-8-14(10-15)21(16)22/h1-9,14-16,18,20-22H,10-12H2
InChIKeyMMNWOBRIUOSLLL-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.07
Rot. Bonds2

About 9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene

9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 139978466) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID139978466
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC1=CC2CC1C1C3CC(Oc4cccc5ccccc45)C(C3)C21
InChIInChI=1S/C22H22O/c1-2-6-17-13(4-1)5-3-7-19(17)23-20-12-16-11-18(20)22-15-9-8-14(10-15)21(16)22/h1-9,14-16,18,20-22H,10-12H2
InChIKeyMMNWOBRIUOSLLL-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.07
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

9-anthracen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172821425
9-(anthracen-1-yloxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172832507
4-naphthalen-1-yloxypyrrolidin-3-ol
CID 13192217
9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172688740
[(1R,2R,3S,4R,6R,7S,8R)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate
CID 124895627
[2,3-bis(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenyl] dihydrogen phosphite
CID 90475420
2-naphthalen-1-yloxy-2,3-dihydro-1H-inden-1-amine
CID 43100876
2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol
CID 146533969
3-naphthalen-1-yloxyazetidine;hydrochloride
CID 22451506
(3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol
CID 22826654
1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene
CID 66345692
dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane
CID 90893345

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 139978466) is 9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene is C1=CC2CC1C1C3CC(Oc4cccc5ccccc45)C(C3)C21.
What is the InChIKey of 9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is MMNWOBRIUOSLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-2-6-17-13(4-1)5-3-7-19(17)23-20-12-16-11-18(20)22-15-9-8-14(10-15)21(16)22/h1-9,14-16,18,20-22H,10-12H2.
What are the key properties of 9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 302.42 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 139978466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).