9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C16H22 — CID 123420244

IUPAC9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC=C(CC)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C16H22/c1-3-9(2)13-7-12-8-14(13)16-11-5-4-10(6-11)15(12)16/h4-5,10-16H,2-3,6-8H2,1H3
InChIKeyIWMAVKFCLAXFIY-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.05
Rot. Bonds2

About 9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene

9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 123420244) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID123420244
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESC=C(CC)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C16H22/c1-3-9(2)13-7-12-8-14(13)16-11-5-4-10(6-11)15(12)16/h4-5,10-16H,2-3,6-8H2,1H3
InChIKeyIWMAVKFCLAXFIY-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.05
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

11-prop-1-en-2-ylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene
CID 139655368
(1R,2R,3S,4R,6S,7R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 177458663
methyl (1R,3R,6R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 11183564
N,N-diethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
CID 139919678
propoxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 141353382
N,N-dimethoxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
CID 154076721
2-hydroxyethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 23377191
2-hydroxyethyl (2S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 71195761
(1-ethylcyclooctyl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172737418
1-[(2-methylpropan-2-yl)oxy]pentan-2-yl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172678632
cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane
CID 157102741
2-methylpropoxymethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 141353298

Frequently Asked Questions

What is the IUPAC name of 9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 123420244) is 9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is C=C(CC)C1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is IWMAVKFCLAXFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-3-9(2)13-7-12-8-14(13)16-11-5-4-10(6-11)15(12)16/h4-5,10-16H,2-3,6-8H2,1H3.
What are the key properties of 9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 214.35 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-but-1-en-2-yltetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 123420244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).