6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid

C13H22O6 — CID 173047052

IUPAC6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid
SMILESC=C(CCCCO)C(=O)O.CC(=CCCO)C(=O)O
InChIInChI=1S/C7H12O3.C6H10O3/c1-6(7(9)10)4-2-3-5-8;1-5(6(8)9)3-2-4-7/h8H,1-5H2,(H,9,10);3,7H,2,4H2,1H3,(H,8,9)
InChIKeyVQMHSYYSYDQGJR-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.19
Rot. Bonds8

About 6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid

6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid (PubChem CID 173047052) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid
PubChem CID173047052
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid
SMILESC=C(CCCCO)C(=O)O.CC(=CCCO)C(=O)O
InChIInChI=1S/C7H12O3.C6H10O3/c1-6(7(9)10)4-2-3-5-8;1-5(6(8)9)3-2-4-7/h8H,1-5H2,(H,9,10);3,7H,2,4H2,1H3,(H,8,9)
InChIKeyVQMHSYYSYDQGJR-UHFFFAOYSA-N
XLogP1.19
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.19
H-Bond Donors ≤ 54
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

5-hydroxy-2-methylpent-2-enoic acid;2-methylidenebutanoic acid
CID 173207382
5-hydroxy-2-methylpent-2-enoic acid;2-methylidenehexanoic acid;styrene
CID 67928086
6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid
CID 173373377
(E)-5-hydroxy-2-methylpent-2-enoic acid;phosphoric acid
CID 87164538
5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid
CID 173423992
5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate
CID 173421757
2-methylidene-7-oxooctanoic acid
CID 87625234
ethyl carbamate;5-hydroxy-2-methylpent-2-enoic acid;bis(2-methylprop-2-enoic acid)
CID 175878324
2,11-dimethylidenedodecanedioic acid
CID 20542368
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
(E)-2-methylbut-2-enoic acid;(E)-2-methylhept-2-enoic acid;2-methylidenehexanoic acid;styrene
CID 70183777
(E)-2-methylnon-2-enedioic acid
CID 87072449

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid?
The IUPAC name of 6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid (CID 173047052) is 6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid.
What is the SMILES notation for 6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid?
The canonical SMILES for 6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid is C=C(CCCCO)C(=O)O.CC(=CCCO)C(=O)O.
What is the InChIKey of 6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid?
The InChIKey is VQMHSYYSYDQGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C6H10O3/c1-6(7(9)10)4-2-3-5-8;1-5(6(8)9)3-2-4-7/h8H,1-5H2,(H,9,10);3,7H,2,4H2,1H3,(H,8,9).
What are the key properties of 6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid?
6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid has a molecular weight of 274.31 g/mol, XLogP of 1.19, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methylidenehexanoic acid;5-hydroxy-2-methylpent-2-enoic acid is sourced from PubChem (CID 173047052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).