methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate

C10H14O4 — CID 101114658

IUPACmethyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate
SMILESC=C=CC(C)(O)C(=O)CCC(=O)OC
InChIInChI=1S/C10H14O4/c1-4-7-10(2,13)8(11)5-6-9(12)14-3/h7,13H,1,5-6H2,2-3H3
InChIKeyLQKFVUGLKNGESE-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.60
Rot. Bonds5

About methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate

methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate (PubChem CID 101114658) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate.

Molecular Properties

Compound Namemethyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate
PubChem CID101114658
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate
SMILESC=C=CC(C)(O)C(=O)CCC(=O)OC
InChIInChI=1S/C10H14O4/c1-4-7-10(2,13)8(11)5-6-9(12)14-3/h7,13H,1,5-6H2,2-3H3
InChIKeyLQKFVUGLKNGESE-UHFFFAOYSA-N
XLogP0.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 6,6-dimethyl-4-oxoheptanoate
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CID 59259624
CID 59259624
methyl 4-methylocta-4,7-dienoate
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dimethyl 5-methylidenenonanedioate
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methyl (E)-6-hydroxy-4-methylhex-4-enoate
CID 5362872
dimethyl 4-methylidenedecanedioate
CID 10490360
methyl 4-hydroxy-4-hydroxysulfanylpentanoate
CID 137414269
methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
CID 11680207

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate?
The IUPAC name of methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate (CID 101114658) is methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate.
What is the SMILES notation for methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate?
The canonical SMILES for methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate is C=C=CC(C)(O)C(=O)CCC(=O)OC.
What is the InChIKey of methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate?
The InChIKey is LQKFVUGLKNGESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-7-10(2,13)8(11)5-6-9(12)14-3/h7,13H,1,5-6H2,2-3H3.
What are the key properties of methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate?
methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate has a molecular weight of 198.22 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-5-methyl-4-oxoocta-6,7-dienoate is sourced from PubChem (CID 101114658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).