methyl 2-ethenylidene-3-hydroxypentanoate

C8H12O3 — CID 16742713

IUPACmethyl 2-ethenylidene-3-hydroxypentanoate
SMILESC=C=C(C(=O)OC)C(O)CC
InChIInChI=1S/C8H12O3/c1-4-6(7(9)5-2)8(10)11-3/h7,9H,1,5H2,2-3H3
InChIKeyBLTFRTSGKQDQPN-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.64
Rot. Bonds3

About methyl 2-ethenylidene-3-hydroxypentanoate

methyl 2-ethenylidene-3-hydroxypentanoate (PubChem CID 16742713) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 2-ethenylidene-3-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 2-ethenylidene-3-hydroxypentanoate
PubChem CID16742713
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 2-ethenylidene-3-hydroxypentanoate
SMILESC=C=C(C(=O)OC)C(O)CC
InChIInChI=1S/C8H12O3/c1-4-6(7(9)5-2)8(10)11-3/h7,9H,1,5H2,2-3H3
InChIKeyBLTFRTSGKQDQPN-UHFFFAOYSA-N
XLogP0.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-hydroxy-2-methylen-butanoat
CID 5080248
Butyl 3-hydroxy-2-methylidenebutanoate
CID 568158
(S)-(-)-3-Hydroxy-2-methylen-butyric Acid Butyl Ester
CID 86587837
Methyl 3-hydroxy-2-methylidenepentanoate
CID 339667
Pentanoic acid, 3-hydroxy-4-methyl-2-methylene-, methyl ester
CID 10329537
3-Hydroxy-2-methylenehexanoic acid methyl ester
CID 10397079
methyl 2-[(1R)-1-hydroxyethyl]acrylate
CID 11147730
Ethyl 3-hydroxy-4-methyl-2-methylidenepentanoate
CID 11401033
3-Ethoxy-4-methylpent-4-enoic acid
CID 71755801
1,1,1,3,3,3-hexafluoropropan-2-yl (3R)-3-hydroxy-2-methylidenepentanoate
CID 15474451
3-[(1R)-1-Hydroxypropyl]-4-methylfuran-2(5H)-one
CID 45083191
3-[(1s)-1-Hydroxypropyl]-4-methylfuran-2(5h)-one
CID 45083192

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenylidene-3-hydroxypentanoate?
The IUPAC name of methyl 2-ethenylidene-3-hydroxypentanoate (CID 16742713) is methyl 2-ethenylidene-3-hydroxypentanoate.
What is the SMILES notation for methyl 2-ethenylidene-3-hydroxypentanoate?
The canonical SMILES for methyl 2-ethenylidene-3-hydroxypentanoate is C=C=C(C(=O)OC)C(O)CC.
What is the InChIKey of methyl 2-ethenylidene-3-hydroxypentanoate?
The InChIKey is BLTFRTSGKQDQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-6(7(9)5-2)8(10)11-3/h7,9H,1,5H2,2-3H3.
What are the key properties of methyl 2-ethenylidene-3-hydroxypentanoate?
methyl 2-ethenylidene-3-hydroxypentanoate has a molecular weight of 156.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenylidene-3-hydroxypentanoate is sourced from PubChem (CID 16742713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).