dec-1-enyl propanoate

C13H24O2 — CID 54106013

IUPACdec-1-enyl propanoate
SMILESCCCCCCCCC=COC(=O)CC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h11-12H,3-10H2,1-2H3
InChIKeyNDUXXUPQLZKJJR-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.20
Rot. Bonds9

About dec-1-enyl propanoate

dec-1-enyl propanoate (PubChem CID 54106013) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is dec-1-enyl propanoate.

Molecular Properties

Compound Namedec-1-enyl propanoate
PubChem CID54106013
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namedec-1-enyl propanoate
SMILESCCCCCCCCC=COC(=O)CC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h11-12H,3-10H2,1-2H3
InChIKeyNDUXXUPQLZKJJR-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

undec-1-enyl pentanoate
CID 150139235
octadec-1-enyl tetradecanoate
CID 71417711
docos-1-enyl tetradecanoate
CID 141143815
dec-1-enyl 2-sulfanylacetate
CID 175348578
dipotassium;bis(octadec-1-enyl) butanedioate;hydride
CID 174812028
tetracos-1-enyl (Z)-octadec-9-enoate
CID 174158582
[(E)-hex-1-enyl] heptacosanoate
CID 102118777
[(E)-hexadec-1-enyl] acetate
CID 5376351
4-[(E)-hexadec-1-enoxy]-4-oxobutanoic acid
CID 19733981
[(E)-pentadec-1-enyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 88826725
bis(2-oct-1-enoxy-2-oxoethyl) butanedioate
CID 175251434
alumane;4-oct-1-enoxy-4-oxobutanoic acid
CID 173019028

Frequently Asked Questions

What is the IUPAC name of dec-1-enyl propanoate?
The IUPAC name of dec-1-enyl propanoate (CID 54106013) is dec-1-enyl propanoate.
What is the SMILES notation for dec-1-enyl propanoate?
The canonical SMILES for dec-1-enyl propanoate is CCCCCCCCC=COC(=O)CC.
What is the InChIKey of dec-1-enyl propanoate?
The InChIKey is NDUXXUPQLZKJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of dec-1-enyl propanoate?
dec-1-enyl propanoate has a molecular weight of 212.33 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-enyl propanoate is sourced from PubChem (CID 54106013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).