prop-2-enyl 2-cyanodecanoate

C14H23NO2 — CID 14468567

IUPACprop-2-enyl 2-cyanodecanoate
SMILESC=CCOC(=O)C(C#N)CCCCCCCC
InChIInChI=1S/C14H23NO2/c1-3-5-6-7-8-9-10-13(12-15)14(16)17-11-4-2/h4,13H,2-3,5-11H2,1H3
InChIKeyOSYYZBNJFLCQPN-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.61
Rot. Bonds10

About prop-2-enyl 2-cyanodecanoate

prop-2-enyl 2-cyanodecanoate (PubChem CID 14468567) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is prop-2-enyl 2-cyanodecanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-cyanodecanoate
PubChem CID14468567
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameprop-2-enyl 2-cyanodecanoate
SMILESC=CCOC(=O)C(C#N)CCCCCCCC
InChIInChI=1S/C14H23NO2/c1-3-5-6-7-8-9-10-13(12-15)14(16)17-11-4-2/h4,13H,2-3,5-11H2,1H3
InChIKeyOSYYZBNJFLCQPN-UHFFFAOYSA-N
XLogP3.61
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-cyanobutanoate
CID 88802392
bis(prop-2-enyl) 2-heptylpropanedioate
CID 21304231
2-cyanononanamide
CID 91478546
butyl 2-cyano-14-hydroxytetradecanoate
CID 45139506
ethyl 2-cyano-4-prop-2-enoxybutanoate
CID 165355863
2-cyanononadecanoic acid
CID 87316687
2-cyanoheptadecanoic acid
CID 87316675
dichloromethane;prop-2-enyl 2-methyloctanoate
CID 174827241
2-cyanohenicosanethioic S-acid
CID 123529420
azane;2-cyanoundecanoic acid
CID 174447184
methyl 2-cyanohept-6-enoate
CID 15363749
1-O-amino 4-O-prop-2-enyl 2,3-dipentylbutanedioate
CID 87825928

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-cyanodecanoate?
The IUPAC name of prop-2-enyl 2-cyanodecanoate (CID 14468567) is prop-2-enyl 2-cyanodecanoate.
What is the SMILES notation for prop-2-enyl 2-cyanodecanoate?
The canonical SMILES for prop-2-enyl 2-cyanodecanoate is C=CCOC(=O)C(C#N)CCCCCCCC.
What is the InChIKey of prop-2-enyl 2-cyanodecanoate?
The InChIKey is OSYYZBNJFLCQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-6-7-8-9-10-13(12-15)14(16)17-11-4-2/h4,13H,2-3,5-11H2,1H3.
What are the key properties of prop-2-enyl 2-cyanodecanoate?
prop-2-enyl 2-cyanodecanoate has a molecular weight of 237.34 g/mol, XLogP of 3.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-cyanodecanoate is sourced from PubChem (CID 14468567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).