2-prop-2-enoyloxyethyl 5-hydroxydodecanoate

C17H30O5 — CID 152711720

IUPAC2-prop-2-enoyloxyethyl 5-hydroxydodecanoate
SMILESC=CC(=O)OCCOC(=O)CCCC(O)CCCCCCC
InChIInChI=1S/C17H30O5/c1-3-5-6-7-8-10-15(18)11-9-12-17(20)22-14-13-21-16(19)4-2/h4,15,18H,2-3,5-14H2,1H3
InChIKeyZTSZDILQNZUNEE-UHFFFAOYSA-N
MW314.42 g/mol
LogP3.15
Rot. Bonds14

About 2-prop-2-enoyloxyethyl 5-hydroxydodecanoate

2-prop-2-enoyloxyethyl 5-hydroxydodecanoate (PubChem CID 152711720) has the molecular formula C17H30O5 and a molecular weight of 314.42 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 5-hydroxydodecanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 5-hydroxydodecanoate
PubChem CID152711720
Molecular FormulaC17H30O5
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Name2-prop-2-enoyloxyethyl 5-hydroxydodecanoate
SMILESC=CC(=O)OCCOC(=O)CCCC(O)CCCCCCC
InChIInChI=1S/C17H30O5/c1-3-5-6-7-8-10-15(18)11-9-12-17(20)22-14-13-21-16(19)4-2/h4,15,18H,2-3,5-14H2,1H3
InChIKeyZTSZDILQNZUNEE-UHFFFAOYSA-N
XLogP3.15
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 5-hydroxydodecanoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 5-hydroxydodecanoate (CID 152711720) is 2-prop-2-enoyloxyethyl 5-hydroxydodecanoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 5-hydroxydodecanoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 5-hydroxydodecanoate is C=CC(=O)OCCOC(=O)CCCC(O)CCCCCCC.
What is the InChIKey of 2-prop-2-enoyloxyethyl 5-hydroxydodecanoate?
The InChIKey is ZTSZDILQNZUNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5/c1-3-5-6-7-8-10-15(18)11-9-12-17(20)22-14-13-21-16(19)4-2/h4,15,18H,2-3,5-14H2,1H3.
What are the key properties of 2-prop-2-enoyloxyethyl 5-hydroxydodecanoate?
2-prop-2-enoyloxyethyl 5-hydroxydodecanoate has a molecular weight of 314.42 g/mol, XLogP of 3.15, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 5-hydroxydodecanoate is sourced from PubChem (CID 152711720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).