decyl prop-2-enoate;prop-2-enenitrile

C16H27NO2 — CID 18458407

IUPACdecyl prop-2-enoate;prop-2-enenitrile
SMILESC=CC#N.C=CC(=O)OCCCCCCCCCC
InChIInChI=1S/C13H24O2.C3H3N/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-2-3-4/h4H,2-3,5-12H2,1H3;2H,1H2
InChIKeyUKRGKXFXIQRSKX-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.55
Rot. Bonds10

About decyl prop-2-enoate;prop-2-enenitrile

decyl prop-2-enoate;prop-2-enenitrile (PubChem CID 18458407) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is decyl prop-2-enoate;prop-2-enenitrile.

Molecular Properties

Compound Namedecyl prop-2-enoate;prop-2-enenitrile
PubChem CID18458407
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Namedecyl prop-2-enoate;prop-2-enenitrile
SMILESC=CC#N.C=CC(=O)OCCCCCCCCCC
InChIInChI=1S/C13H24O2.C3H3N/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-2-3-4/h4H,2-3,5-12H2,1H3;2H,1H2
InChIKeyUKRGKXFXIQRSKX-UHFFFAOYSA-N
XLogP4.55
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl prop-2-enoate;formonitrile;prop-2-enenitrile
CID 174714541
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
azane;octyl prop-2-enoate
CID 175482602
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
isocyanic acid;octyl prop-2-enoate
CID 172701484

Frequently Asked Questions

What is the IUPAC name of decyl prop-2-enoate;prop-2-enenitrile?
The IUPAC name of decyl prop-2-enoate;prop-2-enenitrile (CID 18458407) is decyl prop-2-enoate;prop-2-enenitrile.
What is the SMILES notation for decyl prop-2-enoate;prop-2-enenitrile?
The canonical SMILES for decyl prop-2-enoate;prop-2-enenitrile is C=CC#N.C=CC(=O)OCCCCCCCCCC.
What is the InChIKey of decyl prop-2-enoate;prop-2-enenitrile?
The InChIKey is UKRGKXFXIQRSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2.C3H3N/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-2-3-4/h4H,2-3,5-12H2,1H3;2H,1H2.
What are the key properties of decyl prop-2-enoate;prop-2-enenitrile?
decyl prop-2-enoate;prop-2-enenitrile has a molecular weight of 265.40 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl prop-2-enoate;prop-2-enenitrile is sourced from PubChem (CID 18458407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).