dodec-10-ynyl acetate

C14H24O2 — CID 13135130

IUPACdodec-10-ynyl acetate
SMILESCC#CCCCCCCCCCOC(C)=O
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h5-13H2,1-2H3
InChIKeyDXXZYZCLMFQKGS-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds9

About dodec-10-ynyl acetate

dodec-10-ynyl acetate (PubChem CID 13135130) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is dodec-10-ynyl acetate.

Molecular Properties

Compound Namedodec-10-ynyl acetate
PubChem CID13135130
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namedodec-10-ynyl acetate
SMILESCC#CCCCCCCCCCOC(C)=O
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h5-13H2,1-2H3
InChIKeyDXXZYZCLMFQKGS-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

12-chlorododec-7-ynyl acetate
CID 134994836
11-acetyloxyundecyl acetate
CID 87784419
6-bromohex-5-ynyl acetate
CID 122444805
hept-5-ynyl 2-aminoacetate
CID 118488806
pentadec-13-en-11-ynyl acetate
CID 154077168
dodec-10-en-8-ynyl acetate
CID 154077171
11-tri(propan-2-yl)silylundec-10-ynyl acetate
CID 101472039
hexadec-13-en-11-ynyl acetate
CID 73165417
undeca-2,9-diyne
CID 13351096
8-sulfanyloctyl acetate
CID 19068319
8-chlorooctyl acetate
CID 527879
alumane;hexyl acetate
CID 174832794

Frequently Asked Questions

What is the IUPAC name of dodec-10-ynyl acetate?
The IUPAC name of dodec-10-ynyl acetate (CID 13135130) is dodec-10-ynyl acetate.
What is the SMILES notation for dodec-10-ynyl acetate?
The canonical SMILES for dodec-10-ynyl acetate is CC#CCCCCCCCCCOC(C)=O.
What is the InChIKey of dodec-10-ynyl acetate?
The InChIKey is DXXZYZCLMFQKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h5-13H2,1-2H3.
What are the key properties of dodec-10-ynyl acetate?
dodec-10-ynyl acetate has a molecular weight of 224.34 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-10-ynyl acetate is sourced from PubChem (CID 13135130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).