acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one

C6H10O6 — CID 131738683

IUPACacetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one
SMILESCC(=O)O.O=C1OCC(CO)O1
InChIInChI=1S/C4H6O4.C2H4O2/c5-1-3-2-7-4(6)8-3;1-2(3)4/h3,5H,1-2H2;1H3,(H,3,4)
InChIKeyHVVZJRDHDQRYBT-UHFFFAOYSA-N
MW178.14 g/mol
LogP-0.40
Rot. Bonds1

About acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one

acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one (PubChem CID 131738683) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Nameacetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one
PubChem CID131738683
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Nameacetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one
SMILESCC(=O)O.O=C1OCC(CO)O1
InChIInChI=1S/C4H6O4.C2H4O2/c5-1-3-2-7-4(6)8-3;1-2(3)4/h3,5H,1-2H2;1H3,(H,3,4)
InChIKeyHVVZJRDHDQRYBT-UHFFFAOYSA-N
XLogP-0.40
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one (CID 131738683) is acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one is CC(=O)O.O=C1OCC(CO)O1.
What is the InChIKey of acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one?
The InChIKey is HVVZJRDHDQRYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.C2H4O2/c5-1-3-2-7-4(6)8-3;1-2(3)4/h3,5H,1-2H2;1H3,(H,3,4).
What are the key properties of acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one?
acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one has a molecular weight of 178.14 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 131738683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).