decan-1-ol;decyl prop-2-enoate

C23H46O3 — CID 158001479

IUPACdecan-1-ol;decyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCC.CCCCCCCCCCO
InChIInChI=1S/C13H24O2.C10H22O/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-2-3-4-5-6-7-8-9-10-11/h4H,2-3,5-12H2,1H3;11H,2-10H2,1H3
InChIKeyFDUCXYUXZPBIBL-UHFFFAOYSA-N
MW370.62 g/mol
LogP6.98
Rot. Bonds18

About decan-1-ol;decyl prop-2-enoate

decan-1-ol;decyl prop-2-enoate (PubChem CID 158001479) has the molecular formula C23H46O3 and a molecular weight of 370.62 g/mol. Its IUPAC name is decan-1-ol;decyl prop-2-enoate.

Molecular Properties

Compound Namedecan-1-ol;decyl prop-2-enoate
PubChem CID158001479
Molecular FormulaC23H46O3
Molecular Weight370.62 g/mol
Exact Mass370.34
IUPAC Namedecan-1-ol;decyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCC.CCCCCCCCCCO
InChIInChI=1S/C13H24O2.C10H22O/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-2-3-4-5-6-7-8-9-10-11/h4H,2-3,5-12H2,1H3;11H,2-10H2,1H3
InChIKeyFDUCXYUXZPBIBL-UHFFFAOYSA-N
XLogP6.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
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
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
10-hydroxydecyl prop-2-enoate
CID 14715958
19-hydroxynonadecyl prop-2-enoate
CID 20625688

Frequently Asked Questions

What is the IUPAC name of decan-1-ol;decyl prop-2-enoate?
The IUPAC name of decan-1-ol;decyl prop-2-enoate (CID 158001479) is decan-1-ol;decyl prop-2-enoate.
What is the SMILES notation for decan-1-ol;decyl prop-2-enoate?
The canonical SMILES for decan-1-ol;decyl prop-2-enoate is C=CC(=O)OCCCCCCCCCC.CCCCCCCCCCO.
What is the InChIKey of decan-1-ol;decyl prop-2-enoate?
The InChIKey is FDUCXYUXZPBIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2.C10H22O/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-2-3-4-5-6-7-8-9-10-11/h4H,2-3,5-12H2,1H3;11H,2-10H2,1H3.
What are the key properties of decan-1-ol;decyl prop-2-enoate?
decan-1-ol;decyl prop-2-enoate has a molecular weight of 370.62 g/mol, XLogP of 6.98, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-ol;decyl prop-2-enoate is sourced from PubChem (CID 158001479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).