methyl 6-hydroxy-2,4-dimethylheptanoate

C10H20O3 — CID 85176475

IUPACmethyl 6-hydroxy-2,4-dimethylheptanoate
SMILESCOC(=O)C(C)CC(C)CC(C)O
InChIInChI=1S/C10H20O3/c1-7(6-9(3)11)5-8(2)10(12)13-4/h7-9,11H,5-6H2,1-4H3
InChIKeyDKLYCLXAHDLYOB-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.59
Rot. Bonds5

About methyl 6-hydroxy-2,4-dimethylheptanoate

methyl 6-hydroxy-2,4-dimethylheptanoate (PubChem CID 85176475) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 6-hydroxy-2,4-dimethylheptanoate.

Molecular Properties

Compound Namemethyl 6-hydroxy-2,4-dimethylheptanoate
PubChem CID85176475
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namemethyl 6-hydroxy-2,4-dimethylheptanoate
SMILESCOC(=O)C(C)CC(C)CC(C)O
InChIInChI=1S/C10H20O3/c1-7(6-9(3)11)5-8(2)10(12)13-4/h7-9,11H,5-6H2,1-4H3
InChIKeyDKLYCLXAHDLYOB-UHFFFAOYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R,4S,6S)-6-hydroxy-2,4-dimethylheptanoate
CID 11008997
sodium 1-hydroxy-4-methoxy-3-methyl-4-oxobutane-1-sulfonate
CID 141265872
methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
CID 58391087
CID 58391087
methyl (2R,4S)-2,4-dimethylnonanoate
CID 163049093
methyl 4-amino-2-methyl-4-phosphanylbutanoate
CID 134574134
methyl 2,4,8-trimethylundecanoate
CID 560442
methyl (2R)-4-hydroxy-2-methylheptanoate
CID 174362500
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
methyl 2-methyl-4-(propan-2-ylamino)pentanoate
CID 104646065
ethyl (2R,4S)-4-hydroxy-2-methylpentanoate
CID 163005989
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-2,4-dimethylheptanoate?
The IUPAC name of methyl 6-hydroxy-2,4-dimethylheptanoate (CID 85176475) is methyl 6-hydroxy-2,4-dimethylheptanoate.
What is the SMILES notation for methyl 6-hydroxy-2,4-dimethylheptanoate?
The canonical SMILES for methyl 6-hydroxy-2,4-dimethylheptanoate is COC(=O)C(C)CC(C)CC(C)O.
What is the InChIKey of methyl 6-hydroxy-2,4-dimethylheptanoate?
The InChIKey is DKLYCLXAHDLYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(6-9(3)11)5-8(2)10(12)13-4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of methyl 6-hydroxy-2,4-dimethylheptanoate?
methyl 6-hydroxy-2,4-dimethylheptanoate has a molecular weight of 188.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-2,4-dimethylheptanoate is sourced from PubChem (CID 85176475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).