2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid

C10H16O5 — CID 117168464

IUPAC2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid
SMILESO=C(O)CC1COC(C2CCOCC2)O1
InChIInChI=1S/C10H16O5/c11-9(12)5-8-6-14-10(15-8)7-1-3-13-4-2-7/h7-8,10H,1-6H2,(H,11,12)
InChIKeySBKXUARVVQZABM-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.63
Rot. Bonds3

About 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid

2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid (PubChem CID 117168464) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid
PubChem CID117168464
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid
SMILESO=C(O)CC1COC(C2CCOCC2)O1
InChIInChI=1S/C10H16O5/c11-9(12)5-8-6-14-10(15-8)7-1-3-13-4-2-7/h7-8,10H,1-6H2,(H,11,12)
InChIKeySBKXUARVVQZABM-UHFFFAOYSA-N
XLogP0.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclohexyl-1,3-dioxolan-4-yl)acetic acid
CID 117170089
(2-cyclopropyl-1,3-dioxolan-4-yl)methanol
CID 115094726
2-(1,4-dioxan-2-yl)acetic acid
CID 18469226
2-[4-(trifluoromethyl)oxan-2-yl]acetic acid
CID 164905433
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
2-[2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117168672
2-[2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117168668
2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid
CID 64617436
2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile
CID 117170053
3-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117168419
2-[(2S,4S)-2-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid
CID 151991789
2-(3-fluorooxan-4-yl)acetic acid
CID 84764462

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid (CID 117168464) is 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid is O=C(O)CC1COC(C2CCOCC2)O1.
What is the InChIKey of 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is SBKXUARVVQZABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c11-9(12)5-8-6-14-10(15-8)7-1-3-13-4-2-7/h7-8,10H,1-6H2,(H,11,12).
What are the key properties of 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid?
2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 216.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 117168464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).