2-(3-methyloxan-3-yl)acetic acid

C8H14O3 — CID 83815592

IUPAC2-(3-methyloxan-3-yl)acetic acid
SMILESCC1(CC(=O)O)CCCOC1
InChIInChI=1S/C8H14O3/c1-8(5-7(9)10)3-2-4-11-6-8/h2-6H2,1H3,(H,9,10)
InChIKeyVKJPNNLDZBJPRC-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.28
Rot. Bonds2

About 2-(3-methyloxan-3-yl)acetic acid

2-(3-methyloxan-3-yl)acetic acid (PubChem CID 83815592) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-methyloxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyloxan-3-yl)acetic acid
PubChem CID83815592
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(3-methyloxan-3-yl)acetic acid
SMILESCC1(CC(=O)O)CCCOC1
InChIInChI=1S/C8H14O3/c1-8(5-7(9)10)3-2-4-11-6-8/h2-6H2,1H3,(H,9,10)
InChIKeyVKJPNNLDZBJPRC-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methyloxan-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloxan-3-yl)acetic acid?
The IUPAC name of 2-(3-methyloxan-3-yl)acetic acid (CID 83815592) is 2-(3-methyloxan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-methyloxan-3-yl)acetic acid?
The canonical SMILES for 2-(3-methyloxan-3-yl)acetic acid is CC1(CC(=O)O)CCCOC1.
What is the InChIKey of 2-(3-methyloxan-3-yl)acetic acid?
The InChIKey is VKJPNNLDZBJPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(5-7(9)10)3-2-4-11-6-8/h2-6H2,1H3,(H,9,10).
What are the key properties of 2-(3-methyloxan-3-yl)acetic acid?
2-(3-methyloxan-3-yl)acetic acid has a molecular weight of 158.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloxan-3-yl)acetic acid is sourced from PubChem (CID 83815592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).