5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate

C11H20O5 — CID 151067581

IUPAC5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate
SMILESCC(C)(C)OC(=O)CCCC(=O)OCCO
InChIInChI=1S/C11H20O5/c1-11(2,3)16-10(14)6-4-5-9(13)15-8-7-12/h12H,4-8H2,1-3H3
InChIKeyMHLJDWWFCRJTSD-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.03
Rot. Bonds6

About 5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate

5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate (PubChem CID 151067581) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate.

Molecular Properties

Compound Name5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate
PubChem CID151067581
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate
SMILESCC(C)(C)OC(=O)CCCC(=O)OCCO
InChIInChI=1S/C11H20O5/c1-11(2,3)16-10(14)6-4-5-9(13)15-8-7-12/h12H,4-8H2,1-3H3
InChIKeyMHLJDWWFCRJTSD-UHFFFAOYSA-N
XLogP1.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ditert-butyl pentanedioate
CID 3016405
tert-butyl 16-hydroxyhexadecanoate
CID 118542708
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
4-O-tert-butyl 1-O-(3,3-dimethylbutyl) butanedioate
CID 59660279
tert-butyl 7-amino-7-oxoheptanoate
CID 88902812
tert-butyl pentanoate;hydrazine
CID 174371267
[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] 4-oxo-4-(sulfanylamino)butanoate
CID 59730700
7-O-amino 1-O-tert-butyl heptanedioate
CID 87227654
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
butyl 3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]propanoate
CID 166810956
CID 89305747
CID 89305747

Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate?
The IUPAC name of 5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate (CID 151067581) is 5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate.
What is the SMILES notation for 5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate?
The canonical SMILES for 5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate is CC(C)(C)OC(=O)CCCC(=O)OCCO.
What is the InChIKey of 5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate?
The InChIKey is MHLJDWWFCRJTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-11(2,3)16-10(14)6-4-5-9(13)15-8-7-12/h12H,4-8H2,1-3H3.
What are the key properties of 5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate?
5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate has a molecular weight of 232.28 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 1-O-(2-hydroxyethyl) pentanedioate is sourced from PubChem (CID 151067581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).