4-hydroxyoctyl prop-2-enoate

C11H20O3 — CID 142754995

IUPAC4-hydroxyoctyl prop-2-enoate
SMILESC=CC(=O)OCCCC(O)CCCC
InChIInChI=1S/C11H20O3/c1-3-5-7-10(12)8-6-9-14-11(13)4-2/h4,10,12H,2-3,5-9H2,1H3
InChIKeyWYNAJJWUAGHPPU-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.05
Rot. Bonds8

About 4-hydroxyoctyl prop-2-enoate

4-hydroxyoctyl prop-2-enoate (PubChem CID 142754995) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-hydroxyoctyl prop-2-enoate.

Molecular Properties

Compound Name4-hydroxyoctyl prop-2-enoate
PubChem CID142754995
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name4-hydroxyoctyl prop-2-enoate
SMILESC=CC(=O)OCCCC(O)CCCC
InChIInChI=1S/C11H20O3/c1-3-5-7-10(12)8-6-9-14-11(13)4-2/h4,10,12H,2-3,5-9H2,1H3
InChIKeyWYNAJJWUAGHPPU-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.05
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

3-hydroxyheptadecyl prop-2-enoate
CID 89438234
tributyl(4-prop-2-enoyloxybutyl)phosphanium
CID 18779276
(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate
CID 19429008
(5-chloro-4-hydroxypentyl) prop-2-enoate
CID 173355763
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
tributyl(2-prop-2-enoyloxyethyl)phosphanium chloride
CID 11221390

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyoctyl prop-2-enoate?
The IUPAC name of 4-hydroxyoctyl prop-2-enoate (CID 142754995) is 4-hydroxyoctyl prop-2-enoate.
What is the SMILES notation for 4-hydroxyoctyl prop-2-enoate?
The canonical SMILES for 4-hydroxyoctyl prop-2-enoate is C=CC(=O)OCCCC(O)CCCC.
What is the InChIKey of 4-hydroxyoctyl prop-2-enoate?
The InChIKey is WYNAJJWUAGHPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-5-7-10(12)8-6-9-14-11(13)4-2/h4,10,12H,2-3,5-9H2,1H3.
What are the key properties of 4-hydroxyoctyl prop-2-enoate?
4-hydroxyoctyl prop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyoctyl prop-2-enoate is sourced from PubChem (CID 142754995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).