propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate

C14H24O3 — CID 85272470

IUPACpropan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate
SMILESC=CC(CCC)C(O)(C(=C)C)C(=O)OC(C)C
InChIInChI=1S/C14H24O3/c1-7-9-12(8-2)14(16,10(3)4)13(15)17-11(5)6/h8,11-12,16H,2-3,7,9H2,1,4-6H3
InChIKeyGICWACIYAJFFEF-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.85
Rot. Bonds7

About propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate

propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate (PubChem CID 85272470) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate.

Molecular Properties

Compound Namepropan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate
PubChem CID85272470
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namepropan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate
SMILESC=CC(CCC)C(O)(C(=C)C)C(=O)OC(C)C
InChIInChI=1S/C14H24O3/c1-7-9-12(8-2)14(16,10(3)4)13(15)17-11(5)6/h8,11-12,16H,2-3,7,9H2,1,4-6H3
InChIKeyGICWACIYAJFFEF-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate?
The IUPAC name of propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate (CID 85272470) is propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate.
What is the SMILES notation for propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate?
The canonical SMILES for propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate is C=CC(CCC)C(O)(C(=C)C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate?
The InChIKey is GICWACIYAJFFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-7-9-12(8-2)14(16,10(3)4)13(15)17-11(5)6/h8,11-12,16H,2-3,7,9H2,1,4-6H3.
What are the key properties of propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate?
propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate has a molecular weight of 240.34 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate is sourced from PubChem (CID 85272470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).