10-(3-pentyloxiran-2-yl)decyl prop-2-enoate

C20H36O3 — CID 141175333

IUPAC10-(3-pentyloxiran-2-yl)decyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCC1OC1CCCCC
InChIInChI=1S/C20H36O3/c1-3-5-12-15-18-19(23-18)16-13-10-8-6-7-9-11-14-17-22-20(21)4-2/h4,18-19H,2-3,5-17H2,1H3
InChIKeyUFKRQORTYBQTJU-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.57
Rot. Bonds16

About 10-(3-pentyloxiran-2-yl)decyl prop-2-enoate

10-(3-pentyloxiran-2-yl)decyl prop-2-enoate (PubChem CID 141175333) has the molecular formula C20H36O3 and a molecular weight of 324.51 g/mol. Its IUPAC name is 10-(3-pentyloxiran-2-yl)decyl prop-2-enoate.

Molecular Properties

Compound Name10-(3-pentyloxiran-2-yl)decyl prop-2-enoate
PubChem CID141175333
Molecular FormulaC20H36O3
Molecular Weight324.51 g/mol
Exact Mass324.27
IUPAC Name10-(3-pentyloxiran-2-yl)decyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCC1OC1CCCCC
InChIInChI=1S/C20H36O3/c1-3-5-12-15-18-19(23-18)16-13-10-8-6-7-9-11-14-17-22-20(21)4-2/h4,18-19H,2-3,5-17H2,1H3
InChIKeyUFKRQORTYBQTJU-UHFFFAOYSA-N
XLogP5.57
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.57
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

bis[3-(3-nonyloxiran-2-yl)propyl] but-2-enedioate
CID 54261110
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
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
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
chloroethene;octyl prop-2-enoate
CID 87386135

Frequently Asked Questions

What is the IUPAC name of 10-(3-pentyloxiran-2-yl)decyl prop-2-enoate?
The IUPAC name of 10-(3-pentyloxiran-2-yl)decyl prop-2-enoate (CID 141175333) is 10-(3-pentyloxiran-2-yl)decyl prop-2-enoate.
What is the SMILES notation for 10-(3-pentyloxiran-2-yl)decyl prop-2-enoate?
The canonical SMILES for 10-(3-pentyloxiran-2-yl)decyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCC1OC1CCCCC.
What is the InChIKey of 10-(3-pentyloxiran-2-yl)decyl prop-2-enoate?
The InChIKey is UFKRQORTYBQTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3/c1-3-5-12-15-18-19(23-18)16-13-10-8-6-7-9-11-14-17-22-20(21)4-2/h4,18-19H,2-3,5-17H2,1H3.
What are the key properties of 10-(3-pentyloxiran-2-yl)decyl prop-2-enoate?
10-(3-pentyloxiran-2-yl)decyl prop-2-enoate has a molecular weight of 324.51 g/mol, XLogP of 5.57, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-pentyloxiran-2-yl)decyl prop-2-enoate is sourced from PubChem (CID 141175333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).