6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid

C15H24O5 — CID 57137450

IUPAC6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid
SMILESC=C(CCCCOC(=O)C(=C)C(O)CCCC)C(=O)O
InChIInChI=1S/C15H24O5/c1-4-5-9-13(16)12(3)15(19)20-10-7-6-8-11(2)14(17)18/h13,16H,2-10H2,1H3,(H,17,18)
InChIKeyMWZAUXYOIGEUSI-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.45
Rot. Bonds11

About 6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid

6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid (PubChem CID 57137450) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid.

Molecular Properties

Compound Name6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid
PubChem CID57137450
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid
SMILESC=C(CCCCOC(=O)C(=C)C(O)CCCC)C(=O)O
InChIInChI=1S/C15H24O5/c1-4-5-9-13(16)12(3)15(19)20-10-7-6-8-11(2)14(17)18/h13,16H,2-10H2,1H3,(H,17,18)
InChIKeyMWZAUXYOIGEUSI-UHFFFAOYSA-N
XLogP2.45
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Ethyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
CID 11241315
Acaterin
CID 126830
Methyl 6-hydroxycyclohex-1-ene-1-carboxylate
CID 11579169
4-(1-hydroxyhexyl)-2H-furan-5-one
CID 14226622
(9R,10E,11aR)-9-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-2,7-dione
CID 162920444
4-(1-Hydroxyoctyl)-2-methyl-2H-furan-5-one
CID 10082421
3-Acetoxy-2-methylenehexanoic acid methyl ester
CID 10330402
3-Hydroxy-2-methylenehexanoic acid methyl ester
CID 10397079
ethyl (7R)-7-hydroxy-2-methylidenedodecanoate
CID 15258413
Ethyl 3-hydroxy-2-methylidenepentanoate
CID 10103405
Cyclohexyl 3-hydroxy-2-methylidenebutanoate
CID 10465337
Methyl 3-hydroxy-2-methylideneoctanoate
CID 10976204

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid?
The IUPAC name of 6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid (CID 57137450) is 6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid.
What is the SMILES notation for 6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid?
The canonical SMILES for 6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid is C=C(CCCCOC(=O)C(=C)C(O)CCCC)C(=O)O.
What is the InChIKey of 6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid?
The InChIKey is MWZAUXYOIGEUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-4-5-9-13(16)12(3)15(19)20-10-7-6-8-11(2)14(17)18/h13,16H,2-10H2,1H3,(H,17,18).
What are the key properties of 6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid?
6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid has a molecular weight of 284.35 g/mol, XLogP of 2.45, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-2-methylideneheptanoyl)oxy-2-methylidenehexanoic acid is sourced from PubChem (CID 57137450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).