propyl undec-10-ynoate

C14H24O2 — CID 91697638

IUPACpropyl undec-10-ynoate
SMILESC#CCCCCCCCCC(=O)OCCC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h1H,4-13H2,2H3
InChIKeyNTWOHKRWOQBBJB-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds10

About propyl undec-10-ynoate

propyl undec-10-ynoate (PubChem CID 91697638) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is propyl undec-10-ynoate.

Molecular Properties

Compound Namepropyl undec-10-ynoate
PubChem CID91697638
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namepropyl undec-10-ynoate
SMILESC#CCCCCCCCCC(=O)OCCC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h1H,4-13H2,2H3
InChIKeyNTWOHKRWOQBBJB-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
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

propyl 12-cyanododecanoate
CID 19904856
propyl 11-cyanoundecanoate
CID 19904855
propyl docosanoate
CID 3015299
1-O-propyl 10-O-tetradecyl decanedioate
CID 91736271
1-O-propyl 4-O-prop-2-ynyl butanedioate
CID 88550128
ethane-1,2-diol;propyl octadecanoate
CID 87479973
2-(2-propoxyethoxy)ethyl pent-4-ynoate
CID 134215375
5-O-dodec-9-ynyl 1-O-propyl pentanedioate
CID 91708269
dibutyl heptadecanedioate
CID 87117348
2-henicosanoyloxyethyl henicosanoate
CID 54483902
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
bismuthane;propyl pentanoate
CID 174550006

Frequently Asked Questions

What is the IUPAC name of propyl undec-10-ynoate?
The IUPAC name of propyl undec-10-ynoate (CID 91697638) is propyl undec-10-ynoate.
What is the SMILES notation for propyl undec-10-ynoate?
The canonical SMILES for propyl undec-10-ynoate is C#CCCCCCCCCC(=O)OCCC.
What is the InChIKey of propyl undec-10-ynoate?
The InChIKey is NTWOHKRWOQBBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h1H,4-13H2,2H3.
What are the key properties of propyl undec-10-ynoate?
propyl undec-10-ynoate has a molecular weight of 224.34 g/mol, XLogP of 3.69, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl undec-10-ynoate is sourced from PubChem (CID 91697638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).