2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid

C11H20O3 — CID 22965756

IUPAC2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid
SMILESCC1(C)CC(CC(=O)O)CC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-10(2)6-8(5-9(12)13)7-11(3,4)14-10/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyOXEUBCJBWRLTDT-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.44
Rot. Bonds2

About 2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid

2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid (PubChem CID 22965756) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid
PubChem CID22965756
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid
SMILESCC1(C)CC(CC(=O)O)CC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-10(2)6-8(5-9(12)13)7-11(3,4)14-10/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyOXEUBCJBWRLTDT-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid?
The IUPAC name of 2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid (CID 22965756) is 2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid.
What is the SMILES notation for 2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid?
The canonical SMILES for 2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid is CC1(C)CC(CC(=O)O)CC(C)(C)O1.
What is the InChIKey of 2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid?
The InChIKey is OXEUBCJBWRLTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2)6-8(5-9(12)13)7-11(3,4)14-10/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid?
2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid has a molecular weight of 200.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid is sourced from PubChem (CID 22965756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).