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

C20H30 — CID 172816215

IUPAC9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC1=CC2CC1C1C3CC(C4CCCCCCC4)C(C3)C21
InChIInChI=1S/C20H30/c1-2-4-6-13(7-5-3-1)17-11-16-12-18(17)20-15-9-8-14(10-15)19(16)20/h8-9,13-20H,1-7,10-12H2
InChIKeySVNMRBVCWZANKI-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.44
Rot. Bonds1

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

9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 172816215) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID172816215
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC1=CC2CC1C1C3CC(C4CCCCCCC4)C(C3)C21
InChIInChI=1S/C20H30/c1-2-4-6-13(7-5-3-1)17-11-16-12-18(17)20-15-9-8-14(10-15)19(16)20/h8-9,13-20H,1-7,10-12H2
InChIKeySVNMRBVCWZANKI-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 160562835
9-cyclopentyloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172688740
pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
CID 14458344
tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-thiol
CID 88871327
(1S,2S,3R,6R,7S,8S,9S)-9-chlorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 98505466
1-cyclooctyloxyethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172815465
9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-(cyclohexylmethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl acetate
CID 160579123
4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 141155389
cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane
CID 157102741
5-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonitrile
CID 139711732
9-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 58779442
(2-cyclooctyloxy-2-oxoethyl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 141353366

Frequently Asked Questions

What is the IUPAC name of 9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 172816215) is 9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is C1=CC2CC1C1C3CC(C4CCCCCCC4)C(C3)C21.
What is the InChIKey of 9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is SVNMRBVCWZANKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-2-4-6-13(7-5-3-1)17-11-16-12-18(17)20-15-9-8-14(10-15)19(16)20/h8-9,13-20H,1-7,10-12H2.
What are the key properties of 9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 270.46 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 172816215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).