(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate

C11H16O5 — CID 19429008

IUPAC(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate
SMILESC=CC(=O)OCCCC(O)COC(=O)C=C
InChIInChI=1S/C11H16O5/c1-3-10(13)15-7-5-6-9(12)8-16-11(14)4-2/h3-4,9,12H,1-2,5-8H2
InChIKeyZFPTZRHYJDFANN-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.59
Rot. Bonds8

About (4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate

(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate (PubChem CID 19429008) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is (4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate.

Molecular Properties

Compound Name(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate
PubChem CID19429008
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate
SMILESC=CC(=O)OCCCC(O)COC(=O)C=C
InChIInChI=1S/C11H16O5/c1-3-10(13)15-7-5-6-9(12)8-16-11(14)4-2/h3-4,9,12H,1-2,5-8H2
InChIKeyZFPTZRHYJDFANN-UHFFFAOYSA-N
XLogP0.59
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(5-chloro-4-hydroxypentyl) prop-2-enoate
CID 173355763
4-hydroxyoctyl prop-2-enoate
CID 142754995
4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate
CID 58231919
(4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate
CID 88656819
4-methylhexyl prop-2-enoate
CID 58980362
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
(2-hydroxy-3-sulfanylpropyl) prop-2-enoate
CID 90160037
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate?
The IUPAC name of (4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate (CID 19429008) is (4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate.
What is the SMILES notation for (4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate?
The canonical SMILES for (4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate is C=CC(=O)OCCCC(O)COC(=O)C=C.
What is the InChIKey of (4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate?
The InChIKey is ZFPTZRHYJDFANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-3-10(13)15-7-5-6-9(12)8-16-11(14)4-2/h3-4,9,12H,1-2,5-8H2.
What are the key properties of (4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate?
(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate is sourced from PubChem (CID 19429008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).