2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid

C10H18O4 — CID 170990502

IUPAC2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid
SMILESCCC(O)C1CCCC(CC(=O)O)O1
InChIInChI=1S/C10H18O4/c1-2-8(11)9-5-3-4-7(14-9)6-10(12)13/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyRMUUAZVRJYFFFT-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.17
Rot. Bonds4

About 2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid

2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid (PubChem CID 170990502) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid
PubChem CID170990502
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid
SMILESCCC(O)C1CCCC(CC(=O)O)O1
InChIInChI=1S/C10H18O4/c1-2-8(11)9-5-3-4-7(14-9)6-10(12)13/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyRMUUAZVRJYFFFT-UHFFFAOYSA-N
XLogP1.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid?
The IUPAC name of 2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid (CID 170990502) is 2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid?
The canonical SMILES for 2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid is CCC(O)C1CCCC(CC(=O)O)O1.
What is the InChIKey of 2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid?
The InChIKey is RMUUAZVRJYFFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-8(11)9-5-3-4-7(14-9)6-10(12)13/h7-9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid?
2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid has a molecular weight of 202.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-hydroxypropyl)oxan-2-yl]acetic acid is sourced from PubChem (CID 170990502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).