9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C17H24O — CID 172688740

IUPAC9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC1=CC2CC1C1C3CC(OC4CCCC4)C(C3)C21
InChIInChI=1S/C17H24O/c1-2-4-13(3-1)18-15-9-12-8-14(15)17-11-6-5-10(7-11)16(12)17/h5-6,10-17H,1-4,7-9H2
InChIKeyBJQYWOSLCHJRPU-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.79
Rot. Bonds2

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

9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 172688740) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID172688740
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC1=CC2CC1C1C3CC(OC4CCCC4)C(C3)C21
InChIInChI=1S/C17H24O/c1-2-4-13(3-1)18-15-9-12-8-14(15)17-11-6-5-10(7-11)16(12)17/h5-6,10-17H,1-4,7-9H2
InChIKeyBJQYWOSLCHJRPU-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.79
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-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172816215
[(1R,2R,3S,4R,6R,7S,8R)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate
CID 124895627
cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane
CID 157102741
15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene
CID 139711718
(1S,2S,3R,6R,7S,8S,9S)-9-chlorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 98505466
tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-thiol
CID 88871327
(2-cyclooctyloxy-2-oxoethyl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 141353366
1-cyclooctyloxyethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172815465
4-hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-enyl acetate
CID 139797076
3-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyloxymethyl)oxetane
CID 139967498
9-anthracen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172821425
15-methoxy-19-oxaoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene
CID 139828951

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 172688740) is 9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene is C1=CC2CC1C1C3CC(OC4CCCC4)C(C3)C21.
What is the InChIKey of 9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is BJQYWOSLCHJRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-2-4-13(3-1)18-15-9-12-8-14(15)17-11-6-5-10(7-11)16(12)17/h5-6,10-17H,1-4,7-9H2.
What are the key properties of 9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 244.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 172688740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).