methyl 3-hydroxy-2,3-dimethylheptanoate

C10H20O3 — CID 6422821

IUPACmethyl 3-hydroxy-2,3-dimethylheptanoate
SMILESCCCCC(C)(O)C(C)C(=O)OC
InChIInChI=1S/C10H20O3/c1-5-6-7-10(3,12)8(2)9(11)13-4/h8,12H,5-7H2,1-4H3
InChIKeyXWHYWICNCXPNRE-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.74
Rot. Bonds5

About methyl 3-hydroxy-2,3-dimethylheptanoate

methyl 3-hydroxy-2,3-dimethylheptanoate (PubChem CID 6422821) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 3-hydroxy-2,3-dimethylheptanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2,3-dimethylheptanoate
PubChem CID6422821
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namemethyl 3-hydroxy-2,3-dimethylheptanoate
SMILESCCCCC(C)(O)C(C)C(=O)OC
InChIInChI=1S/C10H20O3/c1-5-6-7-10(3,12)8(2)9(11)13-4/h8,12H,5-7H2,1-4H3
InChIKeyXWHYWICNCXPNRE-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-hydroxy-2,3,5-trimethylhexanoate
CID 62393814
5-butylnonan-5-yl methyl carbonate
CID 141441033
methyl 3,3,3-trihydroxy-2-methylpropanoate
CID 174825227
2-methylhexan-2-yl 2-hydroxypropanoate
CID 140737636
methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate
CID 62395625
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
dimethyl 2-(2-methyloctan-2-yl)propanedioate
CID 137470505
3-hydroxy-2,3-dimethylhexanoic acid
CID 14452464
tert-butyl 3-hydroxy-5-methoxy-2,3-dimethylpentanoate
CID 66337989
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
methyl 2-undecyltridecanoate
CID 176610383
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2,3-dimethylheptanoate?
The IUPAC name of methyl 3-hydroxy-2,3-dimethylheptanoate (CID 6422821) is methyl 3-hydroxy-2,3-dimethylheptanoate.
What is the SMILES notation for methyl 3-hydroxy-2,3-dimethylheptanoate?
The canonical SMILES for methyl 3-hydroxy-2,3-dimethylheptanoate is CCCCC(C)(O)C(C)C(=O)OC.
What is the InChIKey of methyl 3-hydroxy-2,3-dimethylheptanoate?
The InChIKey is XWHYWICNCXPNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-6-7-10(3,12)8(2)9(11)13-4/h8,12H,5-7H2,1-4H3.
What are the key properties of methyl 3-hydroxy-2,3-dimethylheptanoate?
methyl 3-hydroxy-2,3-dimethylheptanoate has a molecular weight of 188.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2,3-dimethylheptanoate is sourced from PubChem (CID 6422821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).