undec-8-ynyl propanoate

C14H24O2 — CID 132532033

IUPACundec-8-ynyl propanoate
SMILESCCC#CCCCCCCCOC(=O)CC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h3-4,7-13H2,1-2H3
InChIKeyWHTYQBUYUDQPRT-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds8

About undec-8-ynyl propanoate

undec-8-ynyl propanoate (PubChem CID 132532033) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is undec-8-ynyl propanoate.

Molecular Properties

Compound Nameundec-8-ynyl propanoate
PubChem CID132532033
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameundec-8-ynyl propanoate
SMILESCCC#CCCCCCCCOC(=O)CC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h3-4,7-13H2,1-2H3
InChIKeyWHTYQBUYUDQPRT-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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

5-O-dodec-9-ynyl 1-O-propyl pentanedioate
CID 91708269
14-propanoyloxytetradecyl propanoate
CID 100931915
9-hydroxynonyl propanoate
CID 90020173
pentyl propanoate;hydrofluoride
CID 174645674
octyl propanoate;propanoic acid
CID 87090257
4-iodobutyl propanoate
CID 11780110
4-propanoyloxybutyl propanoate
CID 58069301
dodec-9-ynyl 2-chlorobenzoate
CID 530513
azane;dodecyl propanoate;propanoic acid
CID 87327250
6-isothiocyanatohexyl propanoate
CID 144983698
pent-3-ynyl propanoate
CID 131155733
hept-5-ynyl 2-aminoacetate
CID 118488806

Frequently Asked Questions

What is the IUPAC name of undec-8-ynyl propanoate?
The IUPAC name of undec-8-ynyl propanoate (CID 132532033) is undec-8-ynyl propanoate.
What is the SMILES notation for undec-8-ynyl propanoate?
The canonical SMILES for undec-8-ynyl propanoate is CCC#CCCCCCCCOC(=O)CC.
What is the InChIKey of undec-8-ynyl propanoate?
The InChIKey is WHTYQBUYUDQPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h3-4,7-13H2,1-2H3.
What are the key properties of undec-8-ynyl propanoate?
undec-8-ynyl propanoate has a molecular weight of 224.34 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-8-ynyl propanoate is sourced from PubChem (CID 132532033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).