6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid

C15H24O5 — CID 57086518

IUPAC6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid
SMILESCC(=CCCCOC(=O)C(C)=CCCCCO)C(=O)O
InChIInChI=1S/C15H24O5/c1-12(14(17)18)8-5-7-11-20-15(19)13(2)9-4-3-6-10-16/h8-9,16H,3-7,10-11H2,1-2H3,(H,17,18)
InChIKeySQECTWFEMOBZAP-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.45
Rot. Bonds10

About 6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid

6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid (PubChem CID 57086518) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid.

Molecular Properties

Compound Name6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid
PubChem CID57086518
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid
SMILESCC(=CCCCOC(=O)C(C)=CCCCCO)C(=O)O
InChIInChI=1S/C15H24O5/c1-12(14(17)18)8-5-7-11-20-15(19)13(2)9-4-3-6-10-16/h8-9,16H,3-7,10-11H2,1-2H3,(H,17,18)
InChIKeySQECTWFEMOBZAP-UHFFFAOYSA-N
XLogP2.45
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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

2-methyl-6-(2-methylbut-2-enoyloxy)hex-2-enoic acid
CID 175363881
ethyl 7-hydroxy-2-methylhept-2-enoate
CID 71403873
6-(3-hydroxypropoxy)-2-methylhex-2-enoic acid
CID 91086450
2-methyl-6-(2-oxobutanoyloxy)hex-2-enoic acid
CID 56997764
3-hydroxypropyl 2-methylhex-2-enoate
CID 139671823
dodecyl 2-methylhenicos-2-enoate
CID 57172953
heptyl 2-methylhexadec-2-enoate
CID 174820936
icosyl 2-methyltricos-2-enoate
CID 90881383
heptyl 2-methylundec-2-enoate
CID 174231744
2-hydroxyethyl 2-methylhept-2-enoate
CID 154084583
nonyl 2-methylnon-2-enoate
CID 175301846
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289

Frequently Asked Questions

What is the IUPAC name of 6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid?
The IUPAC name of 6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid (CID 57086518) is 6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid.
What is the SMILES notation for 6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid?
The canonical SMILES for 6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid is CC(=CCCCOC(=O)C(C)=CCCCCO)C(=O)O.
What is the InChIKey of 6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid?
The InChIKey is SQECTWFEMOBZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-12(14(17)18)8-5-7-11-20-15(19)13(2)9-4-3-6-10-16/h8-9,16H,3-7,10-11H2,1-2H3,(H,17,18).
What are the key properties of 6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid?
6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid has a molecular weight of 284.35 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-hydroxy-2-methylhept-2-enoyl)oxy-2-methylhex-2-enoic acid is sourced from PubChem (CID 57086518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).