pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate

C15H24O5 — CID 174792723

IUPACpentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OC(C)C(O)CC(=C)C(=O)OCCCCC
InChIInChI=1S/C15H24O5/c1-5-7-8-9-19-15(18)11(3)10-13(16)12(4)20-14(17)6-2/h6,12-13,16H,2-3,5,7-10H2,1,4H3
InChIKeyUMNHHDLFSRLMMO-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.14
Rot. Bonds10

About pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate

pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate (PubChem CID 174792723) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate.

Molecular Properties

Compound Namepentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
PubChem CID174792723
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Namepentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OC(C)C(O)CC(=C)C(=O)OCCCCC
InChIInChI=1S/C15H24O5/c1-5-7-8-9-19-15(18)11(3)10-13(16)12(4)20-14(17)6-2/h6,12-13,16H,2-3,5,7-10H2,1,4H3
InChIKeyUMNHHDLFSRLMMO-UHFFFAOYSA-N
XLogP2.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.14
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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Related Compounds

methyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate
CID 174534571
butyl 2-methylidene-6-prop-2-enoyloxyhexanoate
CID 57068152
12-prop-2-enoyloxydodecyl 2-methylidenebutanoate
CID 129103082
10-prop-2-enoyloxydecyl 2-methylidenebutanoate
CID 129102751
butyl 3-prop-2-enoyloxybutanoate
CID 90254320
3-prop-2-enoyloxypropyl 2-methylidenehexanoate
CID 56974872
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322

Frequently Asked Questions

What is the IUPAC name of pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate?
The IUPAC name of pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate (CID 174792723) is pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate.
What is the SMILES notation for pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate?
The canonical SMILES for pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate is C=CC(=O)OC(C)C(O)CC(=C)C(=O)OCCCCC.
What is the InChIKey of pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate?
The InChIKey is UMNHHDLFSRLMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-5-7-8-9-19-15(18)11(3)10-13(16)12(4)20-14(17)6-2/h6,12-13,16H,2-3,5,7-10H2,1,4H3.
What are the key properties of pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate?
pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate has a molecular weight of 284.35 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-hydroxy-2-methylidene-5-prop-2-enoyloxyhexanoate is sourced from PubChem (CID 174792723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).