6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid

C13H20O5 — CID 57278988

IUPAC6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid
SMILESC=C(CCCCOC(=O)C(=C)CCCO)C(=O)O
InChIInChI=1S/C13H20O5/c1-10(12(15)16)6-3-4-9-18-13(17)11(2)7-5-8-14/h14H,1-9H2,(H,15,16)
InChIKeyATOOPMCSDMFHON-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.67
Rot. Bonds10

About 6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid

6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid (PubChem CID 57278988) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid.

Molecular Properties

Compound Name6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid
PubChem CID57278988
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid
SMILESC=C(CCCCOC(=O)C(=C)CCCO)C(=O)O
InChIInChI=1S/C13H20O5/c1-10(12(15)16)6-3-4-9-18-13(17)11(2)7-5-8-14/h14H,1-9H2,(H,15,16)
InChIKeyATOOPMCSDMFHON-UHFFFAOYSA-N
XLogP1.67
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.67
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

4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid
CID 57167665
6-hydroxyhexyl 2-methylidenepentadecanoate
CID 87107597
4-aminobutyl 6-amino-2-methylidenehexanoate
CID 57271260
5-(5-ethoxy-2-methylidenepentanoyl)oxy-2-methylidenepentanoic acid
CID 91518371
nonyl 2-methylideneundecanoate
CID 142441213
heptyl 2-methylideneundecanoate
CID 176549260
octadecyl 2-methylideneicosanoate
CID 57219526
dodecyl 4-hydroxy-2-methylidenebutanoate
CID 161475812
3-hydroxypropyl 2-methylidenebutanoate
CID 54326039
2,11-dimethylidenedodecanedioic acid
CID 20542368
butyl 2-methylideneoctanoate
CID 23364330
nonyl 2-methylidenedodecanoate;prop-2-enoic acid
CID 135390219

Frequently Asked Questions

What is the IUPAC name of 6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid?
The IUPAC name of 6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid (CID 57278988) is 6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid.
What is the SMILES notation for 6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid?
The canonical SMILES for 6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid is C=C(CCCCOC(=O)C(=C)CCCO)C(=O)O.
What is the InChIKey of 6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid?
The InChIKey is ATOOPMCSDMFHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-10(12(15)16)6-3-4-9-18-13(17)11(2)7-5-8-14/h14H,1-9H2,(H,15,16).
What are the key properties of 6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid?
6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid has a molecular weight of 256.30 g/mol, XLogP of 1.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid is sourced from PubChem (CID 57278988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).