10-hydroxydecyl prop-2-enoate

C13H24O3 — CID 14715958

IUPAC10-hydroxydecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCO
InChIInChI=1S/C13H24O3/c1-2-13(15)16-12-10-8-6-4-3-5-7-9-11-14/h2,14H,1,3-12H2
InChIKeyIQEWHTMQTSAPLG-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.83
Rot. Bonds11

About 10-hydroxydecyl prop-2-enoate

10-hydroxydecyl prop-2-enoate (PubChem CID 14715958) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 10-hydroxydecyl prop-2-enoate.

Molecular Properties

Compound Name10-hydroxydecyl prop-2-enoate
PubChem CID14715958
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name10-hydroxydecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCO
InChIInChI=1S/C13H24O3/c1-2-13(15)16-12-10-8-6-4-3-5-7-9-11-14/h2,14H,1,3-12H2
InChIKeyIQEWHTMQTSAPLG-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.83
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

11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
calcium;hydride;4-hydroxybutyl prop-2-enoate
CID 175269190
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
decan-1-ol;decyl prop-2-enoate
CID 158001479
4-prop-2-enoyloxybutyl 6-hydroxyhexanoate
CID 141175225
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837
3-(3-hydroxypropoxy)propyl prop-2-enoate
CID 54397362
3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 59641461

Frequently Asked Questions

What is the IUPAC name of 10-hydroxydecyl prop-2-enoate?
The IUPAC name of 10-hydroxydecyl prop-2-enoate (CID 14715958) is 10-hydroxydecyl prop-2-enoate.
What is the SMILES notation for 10-hydroxydecyl prop-2-enoate?
The canonical SMILES for 10-hydroxydecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCO.
What is the InChIKey of 10-hydroxydecyl prop-2-enoate?
The InChIKey is IQEWHTMQTSAPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-13(15)16-12-10-8-6-4-3-5-7-9-11-14/h2,14H,1,3-12H2.
What are the key properties of 10-hydroxydecyl prop-2-enoate?
10-hydroxydecyl prop-2-enoate has a molecular weight of 228.33 g/mol, XLogP of 2.83, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxydecyl prop-2-enoate is sourced from PubChem (CID 14715958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).