dodec-1-ynylcycloheptane

C19H34 — CID 11579803

IUPACdodec-1-ynylcycloheptane
SMILESCCCCCCCCCCC#CC1CCCCCC1
InChIInChI=1S/C19H34/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18-19/h19H,2-12,14-15,17-18H2,1H3
InChIKeyBJPCXBYDXNTOCQ-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.49
Rot. Bonds8

About dodec-1-ynylcycloheptane

dodec-1-ynylcycloheptane (PubChem CID 11579803) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is dodec-1-ynylcycloheptane.

Molecular Properties

Compound Namedodec-1-ynylcycloheptane
PubChem CID11579803
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Namedodec-1-ynylcycloheptane
SMILESCCCCCCCCCCC#CC1CCCCCC1
InChIInChI=1S/C19H34/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18-19/h19H,2-12,14-15,17-18H2,1H3
InChIKeyBJPCXBYDXNTOCQ-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dicyclohexyl(tetradec-1-ynyl)phosphane
CID 102108656
2-hept-1-ynyl-1-methylazepane
CID 15627450
2-(14-cyclopentyltetradec-13-ynoxy)ethanol
CID 162744238
3-(13-cyclopentyltridec-12-ynoxy)propan-1-ol
CID 162744752
2-oct-1-ynyloxolane
CID 15274342
henicos-8-yne
CID 22224321
3-chloro-2-hept-1-ynyloxane
CID 14202456
(1S)-1-bromo-1-cyclohexylpentadec-2-yn-1-ol
CID 91036149
2-hept-1-ynyl-1,3-dithiane
CID 135076855
6-(4-methylcyclohexyl)hex-5-yn-1-ol
CID 140577326
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728

Frequently Asked Questions

What is the IUPAC name of dodec-1-ynylcycloheptane?
The IUPAC name of dodec-1-ynylcycloheptane (CID 11579803) is dodec-1-ynylcycloheptane.
What is the SMILES notation for dodec-1-ynylcycloheptane?
The canonical SMILES for dodec-1-ynylcycloheptane is CCCCCCCCCCC#CC1CCCCCC1.
What is the InChIKey of dodec-1-ynylcycloheptane?
The InChIKey is BJPCXBYDXNTOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18-19/h19H,2-12,14-15,17-18H2,1H3.
What are the key properties of dodec-1-ynylcycloheptane?
dodec-1-ynylcycloheptane has a molecular weight of 262.48 g/mol, XLogP of 6.49, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-ynylcycloheptane is sourced from PubChem (CID 11579803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).