2-(6-methyloxan-2-yl)acetic acid

C8H14O3 — CID 535839

IUPAC2-(6-methyloxan-2-yl)acetic acid
SMILESCC1CCCC(CC(=O)O)O1
InChIInChI=1S/C8H14O3/c1-6-3-2-4-7(11-6)5-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyURCFGFMSZBUDDP-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.42
Rot. Bonds2

About 2-(6-methyloxan-2-yl)acetic acid

2-(6-methyloxan-2-yl)acetic acid (PubChem CID 535839) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(6-methyloxan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyloxan-2-yl)acetic acid
PubChem CID535839
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(6-methyloxan-2-yl)acetic acid
SMILESCC1CCCC(CC(=O)O)O1
InChIInChI=1S/C8H14O3/c1-6-3-2-4-7(11-6)5-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyURCFGFMSZBUDDP-UHFFFAOYSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyloxan-2-yl)acetic acid?
The IUPAC name of 2-(6-methyloxan-2-yl)acetic acid (CID 535839) is 2-(6-methyloxan-2-yl)acetic acid.
What is the SMILES notation for 2-(6-methyloxan-2-yl)acetic acid?
The canonical SMILES for 2-(6-methyloxan-2-yl)acetic acid is CC1CCCC(CC(=O)O)O1.
What is the InChIKey of 2-(6-methyloxan-2-yl)acetic acid?
The InChIKey is URCFGFMSZBUDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6-3-2-4-7(11-6)5-8(9)10/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-(6-methyloxan-2-yl)acetic acid?
2-(6-methyloxan-2-yl)acetic acid has a molecular weight of 158.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyloxan-2-yl)acetic acid is sourced from PubChem (CID 535839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).