propan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate

C14H24O3 — CID 102250136

IUPACpropan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate
SMILESC=C[C@H](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/t12-,14+/m1/s1
InChIKeyGICWACIYAJFFEF-OCCSQVGLSA-N
MW240.34 g/mol
LogP2.85
Rot. Bonds7

About propan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate

propan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate (PubChem CID 102250136) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is propan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate.

Molecular Properties

Compound Namepropan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate
PubChem CID102250136
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namepropan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate
SMILESC=C[C@H](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/t12-,14+/m1/s1
InChIKeyGICWACIYAJFFEF-OCCSQVGLSA-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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Related Compounds

propan-2-yl (2S,3R)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate
CID 102250137
propan-2-yl 2-methyl-2-propylpentanoate
CID 118411405
propan-2-yl (3S,4S)-4-ethenyl-2-oxo-3-propylheptanoate
CID 102021709
propan-2-yl (3S,4R)-4-ethenyl-3-methyl-2-oxoheptanoate
CID 101004444
propan-2-yl 2,3-di(propan-2-yl)-2-silylhexanoate
CID 173469968
hex-1-en-3-yl 2,2,2-tribromoacetate
CID 21040701
propan-2-yl 2-acetyl-2-propan-2-ylpent-4-enoate
CID 174581736
carbonic acid;3-methylhex-1-ene
CID 161181273
propan-2-yl (2R)-2-ethylbut-3-enoate
CID 101242272
1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate
CID 57217151
1-hydroxydocosyl 2-methylprop-2-enoate
CID 140734527
1-(prop-2-enylamino)prop-2-enyl 2-methylprop-2-enoate
CID 87097761

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate?
The IUPAC name of propan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate (CID 102250136) is propan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate.
What is the SMILES notation for propan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate?
The canonical SMILES for propan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate is C=C[C@H](CCC)[C@@](O)(C(=C)C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate?
The InChIKey is GICWACIYAJFFEF-OCCSQVGLSA-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/t12-,14+/m1/s1.
What are the key properties of propan-2-yl (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate?
propan-2-yl (2R,3S)-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 (2R,3S)-3-ethenyl-2-hydroxy-2-prop-1-en-2-ylhexanoate is sourced from PubChem (CID 102250136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).