2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate

C9H16O5 — CID 11106457

IUPAC2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCC1(CCC(=O)OCCO)OCCO1
InChIInChI=1S/C9H16O5/c1-9(13-6-7-14-9)3-2-8(11)12-5-4-10/h10H,2-7H2,1H3
InChIKeyVRXOFRRONMMDHC-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.07
Rot. Bonds5

About 2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate

2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate (PubChem CID 11106457) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
PubChem CID11106457
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCC1(CCC(=O)OCCO)OCCO1
InChIInChI=1S/C9H16O5/c1-9(13-6-7-14-9)3-2-8(11)12-5-4-10/h10H,2-7H2,1H3
InChIKeyVRXOFRRONMMDHC-UHFFFAOYSA-N
XLogP0.07
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The IUPAC name of 2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate (CID 11106457) is 2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate.
What is the SMILES notation for 2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The canonical SMILES for 2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate is CC1(CCC(=O)OCCO)OCCO1.
What is the InChIKey of 2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The InChIKey is VRXOFRRONMMDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-9(13-6-7-14-9)3-2-8(11)12-5-4-10/h10H,2-7H2,1H3.
What are the key properties of 2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate has a molecular weight of 204.22 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate is sourced from PubChem (CID 11106457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).