pentyl prop-2-enoate;propyl prop-2-enoate

C14H24O4 — CID 175293000

IUPACpentyl prop-2-enoate;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.C=CC(=O)OCCCCC
InChIInChI=1S/C8H14O2.C6H10O2/c1-3-5-6-7-10-8(9)4-2;1-3-5-8-6(7)4-2/h4H,2-3,5-7H2,1H3;4H,2-3,5H2,1H3
InChIKeyWZPFZYYDXIZJOT-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.03
Rot. Bonds8

About pentyl prop-2-enoate;propyl prop-2-enoate

pentyl prop-2-enoate;propyl prop-2-enoate (PubChem CID 175293000) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is pentyl prop-2-enoate;propyl prop-2-enoate.

Molecular Properties

Compound Namepentyl prop-2-enoate;propyl prop-2-enoate
PubChem CID175293000
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namepentyl prop-2-enoate;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.C=CC(=O)OCCCCC
InChIInChI=1S/C8H14O2.C6H10O2/c1-3-5-6-7-10-8(9)4-2;1-3-5-8-6(7)4-2/h4H,2-3,5-7H2,1H3;4H,2-3,5H2,1H3
InChIKeyWZPFZYYDXIZJOT-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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
pentyl prop-2-enoate;prop-2-enamide
CID 175210545
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
5-hexoxypentyl prop-2-enoate
CID 141336215

Frequently Asked Questions

What is the IUPAC name of pentyl prop-2-enoate;propyl prop-2-enoate?
The IUPAC name of pentyl prop-2-enoate;propyl prop-2-enoate (CID 175293000) is pentyl prop-2-enoate;propyl prop-2-enoate.
What is the SMILES notation for pentyl prop-2-enoate;propyl prop-2-enoate?
The canonical SMILES for pentyl prop-2-enoate;propyl prop-2-enoate is C=CC(=O)OCCC.C=CC(=O)OCCCCC.
What is the InChIKey of pentyl prop-2-enoate;propyl prop-2-enoate?
The InChIKey is WZPFZYYDXIZJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C6H10O2/c1-3-5-6-7-10-8(9)4-2;1-3-5-8-6(7)4-2/h4H,2-3,5-7H2,1H3;4H,2-3,5H2,1H3.
What are the key properties of pentyl prop-2-enoate;propyl prop-2-enoate?
pentyl prop-2-enoate;propyl prop-2-enoate has a molecular weight of 256.34 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl prop-2-enoate;propyl prop-2-enoate is sourced from PubChem (CID 175293000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).