2-tert-butyl-5-hydroxyhexanoic acid

C10H20O3 — CID 22275994

IUPAC2-tert-butyl-5-hydroxyhexanoic acid
SMILESCC(O)CCC(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20O3/c1-7(11)5-6-8(9(12)13)10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyDKWLXHBOUXFAJJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.89
Rot. Bonds4

About 2-tert-butyl-5-hydroxyhexanoic acid

2-tert-butyl-5-hydroxyhexanoic acid (PubChem CID 22275994) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-tert-butyl-5-hydroxyhexanoic acid.

Molecular Properties

Compound Name2-tert-butyl-5-hydroxyhexanoic acid
PubChem CID22275994
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-tert-butyl-5-hydroxyhexanoic acid
SMILESCC(O)CCC(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20O3/c1-7(11)5-6-8(9(12)13)10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyDKWLXHBOUXFAJJ-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-hydroxyhexanoic acid?
The IUPAC name of 2-tert-butyl-5-hydroxyhexanoic acid (CID 22275994) is 2-tert-butyl-5-hydroxyhexanoic acid.
What is the SMILES notation for 2-tert-butyl-5-hydroxyhexanoic acid?
The canonical SMILES for 2-tert-butyl-5-hydroxyhexanoic acid is CC(O)CCC(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-hydroxyhexanoic acid?
The InChIKey is DKWLXHBOUXFAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(11)5-6-8(9(12)13)10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-tert-butyl-5-hydroxyhexanoic acid?
2-tert-butyl-5-hydroxyhexanoic acid has a molecular weight of 188.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-hydroxyhexanoic acid is sourced from PubChem (CID 22275994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).