5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol

C9H18O5 — CID 59978057

IUPAC5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol
SMILESCOCC(OC)C1OCC(O)C1OC
InChIInChI=1S/C9H18O5/c1-11-5-7(12-2)9-8(13-3)6(10)4-14-9/h6-10H,4-5H2,1-3H3
InChIKeyZKXMFRVJYLIUAF-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.58
Rot. Bonds5

About 5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol

5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol (PubChem CID 59978057) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol.

Molecular Properties

Compound Name5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol
PubChem CID59978057
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol
SMILESCOCC(OC)C1OCC(O)C1OC
InChIInChI=1S/C9H18O5/c1-11-5-7(12-2)9-8(13-3)6(10)4-14-9/h6-10H,4-5H2,1-3H3
InChIKeyZKXMFRVJYLIUAF-UHFFFAOYSA-N
XLogP-0.58
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol?
The IUPAC name of 5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol (CID 59978057) is 5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol.
What is the SMILES notation for 5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol?
The canonical SMILES for 5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol is COCC(OC)C1OCC(O)C1OC.
What is the InChIKey of 5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol?
The InChIKey is ZKXMFRVJYLIUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-11-5-7(12-2)9-8(13-3)6(10)4-14-9/h6-10H,4-5H2,1-3H3.
What are the key properties of 5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol?
5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol has a molecular weight of 206.24 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethoxyethyl)-4-methoxyoxolan-3-ol is sourced from PubChem (CID 59978057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).