4-prop-2-enoyloxybutyl 6-hydroxyhexanoate

C13H22O5 — CID 141175225

IUPAC4-prop-2-enoyloxybutyl 6-hydroxyhexanoate
SMILESC=CC(=O)OCCCCOC(=O)CCCCCO
InChIInChI=1S/C13H22O5/c1-2-12(15)17-10-6-7-11-18-13(16)8-4-3-5-9-14/h2,14H,1,3-11H2
InChIKeyWOLZHMAFNZBILQ-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.59
Rot. Bonds11

About 4-prop-2-enoyloxybutyl 6-hydroxyhexanoate

4-prop-2-enoyloxybutyl 6-hydroxyhexanoate (PubChem CID 141175225) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-prop-2-enoyloxybutyl 6-hydroxyhexanoate.

Molecular Properties

Compound Name4-prop-2-enoyloxybutyl 6-hydroxyhexanoate
PubChem CID141175225
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name4-prop-2-enoyloxybutyl 6-hydroxyhexanoate
SMILESC=CC(=O)OCCCCOC(=O)CCCCCO
InChIInChI=1S/C13H22O5/c1-2-12(15)17-10-6-7-11-18-13(16)8-4-3-5-9-14/h2,14H,1,3-11H2
InChIKeyWOLZHMAFNZBILQ-UHFFFAOYSA-N
XLogP1.59
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.59
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

10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
bis(4-hydroxybutyl) octanedioate
CID 58519863
bis(10-hydroxydecyl) tetradecanedioate
CID 171852033
bis(7-hydroxyheptyl) icosanedioate
CID 91383667
ethyl 6-[6-[6-[6-[6-[6-(6-prop-2-enoyloxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
CID 100953940
6-prop-2-enoyloxyhexyl octanoate
CID 54500825
calcium;hydride;4-hydroxybutyl prop-2-enoate
CID 175269190
4-oxo-4-[6-oxo-6-[6-oxo-6-(2-prop-2-enoyloxyethoxy)hexoxy]hexoxy]butanoic acid;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid
CID 159615656
6-(6-hydroxyhexanoyloxy)hexyl 6-hydroxyhexanoate;methane
CID 158211085

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoyloxybutyl 6-hydroxyhexanoate?
The IUPAC name of 4-prop-2-enoyloxybutyl 6-hydroxyhexanoate (CID 141175225) is 4-prop-2-enoyloxybutyl 6-hydroxyhexanoate.
What is the SMILES notation for 4-prop-2-enoyloxybutyl 6-hydroxyhexanoate?
The canonical SMILES for 4-prop-2-enoyloxybutyl 6-hydroxyhexanoate is C=CC(=O)OCCCCOC(=O)CCCCCO.
What is the InChIKey of 4-prop-2-enoyloxybutyl 6-hydroxyhexanoate?
The InChIKey is WOLZHMAFNZBILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-2-12(15)17-10-6-7-11-18-13(16)8-4-3-5-9-14/h2,14H,1,3-11H2.
What are the key properties of 4-prop-2-enoyloxybutyl 6-hydroxyhexanoate?
4-prop-2-enoyloxybutyl 6-hydroxyhexanoate has a molecular weight of 258.31 g/mol, XLogP of 1.59, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoyloxybutyl 6-hydroxyhexanoate is sourced from PubChem (CID 141175225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).