3-pentoxyprop-2-enyl prop-2-enoate

C11H18O3 — CID 173309535

IUPAC3-pentoxyprop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC=COCCCCC
InChIInChI=1S/C11H18O3/c1-3-5-6-8-13-9-7-10-14-11(12)4-2/h4,7,9H,2-3,5-6,8,10H2,1H3
InChIKeyHOCFJRFAFDPUJM-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.44
Rot. Bonds8

About 3-pentoxyprop-2-enyl prop-2-enoate

3-pentoxyprop-2-enyl prop-2-enoate (PubChem CID 173309535) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-pentoxyprop-2-enyl prop-2-enoate.

Molecular Properties

Compound Name3-pentoxyprop-2-enyl prop-2-enoate
PubChem CID173309535
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-pentoxyprop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC=COCCCCC
InChIInChI=1S/C11H18O3/c1-3-5-6-8-13-9-7-10-14-11(12)4-2/h4,7,9H,2-3,5-6,8,10H2,1H3
InChIKeyHOCFJRFAFDPUJM-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
azane;octyl prop-2-enoate
CID 175482602
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000
pentyl prop-2-enoate;prop-2-enamide
CID 175210545
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168

Frequently Asked Questions

What is the IUPAC name of 3-pentoxyprop-2-enyl prop-2-enoate?
The IUPAC name of 3-pentoxyprop-2-enyl prop-2-enoate (CID 173309535) is 3-pentoxyprop-2-enyl prop-2-enoate.
What is the SMILES notation for 3-pentoxyprop-2-enyl prop-2-enoate?
The canonical SMILES for 3-pentoxyprop-2-enyl prop-2-enoate is C=CC(=O)OCC=COCCCCC.
What is the InChIKey of 3-pentoxyprop-2-enyl prop-2-enoate?
The InChIKey is HOCFJRFAFDPUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-5-6-8-13-9-7-10-14-11(12)4-2/h4,7,9H,2-3,5-6,8,10H2,1H3.
What are the key properties of 3-pentoxyprop-2-enyl prop-2-enoate?
3-pentoxyprop-2-enyl prop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxyprop-2-enyl prop-2-enoate is sourced from PubChem (CID 173309535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).