1-ethoxyethanol;oxolane

C8H18O3 — CID 174868802

IUPAC1-ethoxyethanol;oxolane
SMILESC1CCOC1.CCOC(C)O
InChIInChI=1S/C4H10O2.C4H8O/c1-3-6-4(2)5;1-2-4-5-3-1/h4-5H,3H2,1-2H3;1-4H2
InChIKeyZYVRPTDDICONSJ-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.16
Rot. Bonds2

About 1-ethoxyethanol;oxolane

1-ethoxyethanol;oxolane (PubChem CID 174868802) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-ethoxyethanol;oxolane.

Molecular Properties

Compound Name1-ethoxyethanol;oxolane
PubChem CID174868802
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1-ethoxyethanol;oxolane
SMILESC1CCOC1.CCOC(C)O
InChIInChI=1S/C4H10O2.C4H8O/c1-3-6-4(2)5;1-2-4-5-3-1/h4-5H,3H2,1-2H3;1-4H2
InChIKeyZYVRPTDDICONSJ-UHFFFAOYSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-ethoxyethanol;oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 159597367
CID 159597367
strontium;1-ethoxyethanol;hydride
CID 174472576
oxolane;propan-2-ol
CID 22597222
1-ethoxyethanol;N-methylmethanamine
CID 18941772
ethanamine;1-ethoxyethanol
CID 20501270
diethyl 2-methylpropanedioate;oxolane
CID 174718682
zinc;1,1-diethoxypropane;oxolane;bromide
CID 138678154
1-(diethylamino)ethanol;oxolane
CID 175105244
2-methylpropane;oxolane
CID 70603205
acetamide;1-ethoxyethanol
CID 175470032
ethanol;oxolane;hydrochloride
CID 23103637
ethanol;oxane
CID 68981478

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethanol;oxolane?
The IUPAC name of 1-ethoxyethanol;oxolane (CID 174868802) is 1-ethoxyethanol;oxolane.
What is the SMILES notation for 1-ethoxyethanol;oxolane?
The canonical SMILES for 1-ethoxyethanol;oxolane is C1CCOC1.CCOC(C)O.
What is the InChIKey of 1-ethoxyethanol;oxolane?
The InChIKey is ZYVRPTDDICONSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C4H8O/c1-3-6-4(2)5;1-2-4-5-3-1/h4-5H,3H2,1-2H3;1-4H2.
What are the key properties of 1-ethoxyethanol;oxolane?
1-ethoxyethanol;oxolane has a molecular weight of 162.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethanol;oxolane is sourced from PubChem (CID 174868802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).