2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid

C14H24O5 — CID 141053052

IUPAC2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid
SMILESCCCCC(C)(C)C1CC(O)(CC(=O)O)CC(=O)O1
InChIInChI=1S/C14H24O5/c1-4-5-6-13(2,3)10-7-14(18,8-11(15)16)9-12(17)19-10/h10,18H,4-9H2,1-3H3,(H,15,16)
InChIKeyNIZBWYULDZNSAB-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.11
Rot. Bonds6

About 2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid

2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid (PubChem CID 141053052) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid
PubChem CID141053052
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid
SMILESCCCCC(C)(C)C1CC(O)(CC(=O)O)CC(=O)O1
InChIInChI=1S/C14H24O5/c1-4-5-6-13(2,3)10-7-14(18,8-11(15)16)9-12(17)19-10/h10,18H,4-9H2,1-3H3,(H,15,16)
InChIKeyNIZBWYULDZNSAB-UHFFFAOYSA-N
XLogP2.11
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid?
The IUPAC name of 2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid (CID 141053052) is 2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid is CCCCC(C)(C)C1CC(O)(CC(=O)O)CC(=O)O1.
What is the InChIKey of 2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid?
The InChIKey is NIZBWYULDZNSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-4-5-6-13(2,3)10-7-14(18,8-11(15)16)9-12(17)19-10/h10,18H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid?
2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-2-(2-methylhexan-2-yl)-6-oxooxan-4-yl]acetic acid is sourced from PubChem (CID 141053052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).