5-hexoxypentyl prop-2-enoate

C14H26O3 — CID 141336215

IUPAC5-hexoxypentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCOCCCCCC
InChIInChI=1S/C14H26O3/c1-3-5-6-8-11-16-12-9-7-10-13-17-14(15)4-2/h4H,2-3,5-13H2,1H3
InChIKeyOUZYUUHNUABLGP-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.48
Rot. Bonds12

About 5-hexoxypentyl prop-2-enoate

5-hexoxypentyl prop-2-enoate (PubChem CID 141336215) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-hexoxypentyl prop-2-enoate.

Molecular Properties

Compound Name5-hexoxypentyl prop-2-enoate
PubChem CID141336215
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name5-hexoxypentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCOCCCCCC
InChIInChI=1S/C14H26O3/c1-3-5-6-8-11-16-12-9-7-10-13-17-14(15)4-2/h4H,2-3,5-13H2,1H3
InChIKeyOUZYUUHNUABLGP-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.48
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'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 11083788
2-docosoxyethyl prop-2-enoate
CID 87118947
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
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
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
azane;octyl prop-2-enoate
CID 175482602
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168

Frequently Asked Questions

What is the IUPAC name of 5-hexoxypentyl prop-2-enoate?
The IUPAC name of 5-hexoxypentyl prop-2-enoate (CID 141336215) is 5-hexoxypentyl prop-2-enoate.
What is the SMILES notation for 5-hexoxypentyl prop-2-enoate?
The canonical SMILES for 5-hexoxypentyl prop-2-enoate is C=CC(=O)OCCCCCOCCCCCC.
What is the InChIKey of 5-hexoxypentyl prop-2-enoate?
The InChIKey is OUZYUUHNUABLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-5-6-8-11-16-12-9-7-10-13-17-14(15)4-2/h4H,2-3,5-13H2,1H3.
What are the key properties of 5-hexoxypentyl prop-2-enoate?
5-hexoxypentyl prop-2-enoate has a molecular weight of 242.36 g/mol, XLogP of 3.48, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxypentyl prop-2-enoate is sourced from PubChem (CID 141336215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).