dimethyl 2-hydroxyhexanedioate

C8H14O5 — CID 13448463

IUPACdimethyl 2-hydroxyhexanedioate
SMILESCOC(=O)CCCC(O)C(=O)OC
InChIInChI=1S/C8H14O5/c1-12-7(10)5-3-4-6(9)8(11)13-2/h6,9H,3-5H2,1-2H3
InChIKeyUYTWLGRTZTYHAC-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.14
Rot. Bonds5

About dimethyl 2-hydroxyhexanedioate

dimethyl 2-hydroxyhexanedioate (PubChem CID 13448463) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is dimethyl 2-hydroxyhexanedioate.

Molecular Properties

Compound Namedimethyl 2-hydroxyhexanedioate
PubChem CID13448463
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namedimethyl 2-hydroxyhexanedioate
SMILESCOC(=O)CCCC(O)C(=O)OC
InChIInChI=1S/C8H14O5/c1-12-7(10)5-3-4-6(9)8(11)13-2/h6,9H,3-5H2,1-2H3
InChIKeyUYTWLGRTZTYHAC-UHFFFAOYSA-N
XLogP-0.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-methoxyhexanedioate
CID 589322
tetramethyl tetradecane-1,4,11,14-tetracarboxylate
CID 142703786
methyl 5-chloro-2-hydroxypentanoate
CID 55302399
methyl (2S)-2-hydroxyheptanoate
CID 71444954
dimethyl hexanedioate;stannane
CID 173290076
(2R)-2-hydroxy-9-methoxy-9-oxononanoic acid
CID 129391242
15-hydroxy-16-methoxy-16-oxohexadecanoic acid
CID 71336808
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
methyl 5,7-dihydroxyheptanoate
CID 123290947
methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate
CID 88576652
trimethyl heptadecane-1,7,17-tricarboxylate
CID 102526998
methyl 2-hydroxynon-7-enoate
CID 174951133

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-hydroxyhexanedioate?
The IUPAC name of dimethyl 2-hydroxyhexanedioate (CID 13448463) is dimethyl 2-hydroxyhexanedioate.
What is the SMILES notation for dimethyl 2-hydroxyhexanedioate?
The canonical SMILES for dimethyl 2-hydroxyhexanedioate is COC(=O)CCCC(O)C(=O)OC.
What is the InChIKey of dimethyl 2-hydroxyhexanedioate?
The InChIKey is UYTWLGRTZTYHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-12-7(10)5-3-4-6(9)8(11)13-2/h6,9H,3-5H2,1-2H3.
What are the key properties of dimethyl 2-hydroxyhexanedioate?
dimethyl 2-hydroxyhexanedioate has a molecular weight of 190.19 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-hydroxyhexanedioate is sourced from PubChem (CID 13448463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).