2-methoxyethanol;oxolane

C7H16O3 — CID 18379763

IUPAC2-methoxyethanol;oxolane
SMILESC1CCOC1.COCCO
InChIInChI=1S/C4H8O.C3H8O2/c1-2-4-5-3-1;1-5-3-2-4/h1-4H2;4H,2-3H2,1H3
InChIKeyVHQGKWXEGKSADV-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.42
Rot. Bonds2

About 2-methoxyethanol;oxolane

2-methoxyethanol;oxolane (PubChem CID 18379763) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-methoxyethanol;oxolane.

Molecular Properties

Compound Name2-methoxyethanol;oxolane
PubChem CID18379763
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-methoxyethanol;oxolane
SMILESC1CCOC1.COCCO
InChIInChI=1S/C4H8O.C3H8O2/c1-2-4-5-3-1;1-5-3-2-4/h1-4H2;4H,2-3H2,1H3
InChIKeyVHQGKWXEGKSADV-UHFFFAOYSA-N
XLogP0.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanol;oxolane?
The IUPAC name of 2-methoxyethanol;oxolane (CID 18379763) is 2-methoxyethanol;oxolane.
What is the SMILES notation for 2-methoxyethanol;oxolane?
The canonical SMILES for 2-methoxyethanol;oxolane is C1CCOC1.COCCO.
What is the InChIKey of 2-methoxyethanol;oxolane?
The InChIKey is VHQGKWXEGKSADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H8O2/c1-2-4-5-3-1;1-5-3-2-4/h1-4H2;4H,2-3H2,1H3.
What are the key properties of 2-methoxyethanol;oxolane?
2-methoxyethanol;oxolane has a molecular weight of 148.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanol;oxolane is sourced from PubChem (CID 18379763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).