ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene

C11H26O4 — CID 87084077

IUPACethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene
SMILESC/C=C/OCC.CCOCC.OCCO
InChIInChI=1S/C5H10O.C4H10O.C2H6O2/c1-3-5-6-4-2;1-3-5-4-2;3-1-2-4/h3,5H,4H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H2/b5-3+;;
InChIKeyPHLKNQDTHZCSGS-RQCPZROWSA-N
MW222.32 g/mol
LogP1.57
Rot. Bonds5

About ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene

ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene (PubChem CID 87084077) has the molecular formula C11H26O4 and a molecular weight of 222.32 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene
PubChem CID87084077
Molecular FormulaC11H26O4
Molecular Weight222.32 g/mol
Exact Mass222.18
IUPAC Nameethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene
SMILESC/C=C/OCC.CCOCC.OCCO
InChIInChI=1S/C5H10O.C4H10O.C2H6O2/c1-3-5-6-4-2;1-3-5-4-2;3-1-2-4/h3,5H,4H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H2/b5-3+;;
InChIKeyPHLKNQDTHZCSGS-RQCPZROWSA-N
XLogP1.57
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene 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

tris(ethane-1,2-diol);ethoxyethane
CID 173395808
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144
ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 87195266
ethane-1,2-diol;ethene;ethoxyethane
CID 173009607
ethane-1,2-diol;ethene;ethoxyethane
CID 173171004
(3E)-1,4-diethoxybuta-1,3-diene
CID 173199605
(E)-5-ethoxypent-4-en-1-ol
CID 18436659
ethoxyethane
CID 19002445
ethoxyethane
CID 18694919
ethanol;ethene;ethoxyethane
CID 139434375
ethoxyethane;prop-1-ene
CID 22712887
ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene
CID 87402389

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene?
The IUPAC name of ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene (CID 87084077) is ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene.
What is the SMILES notation for ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene?
The canonical SMILES for ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene is C/C=C/OCC.CCOCC.OCCO.
What is the InChIKey of ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene?
The InChIKey is PHLKNQDTHZCSGS-RQCPZROWSA-N. The full InChI is InChI=1S/C5H10O.C4H10O.C2H6O2/c1-3-5-6-4-2;1-3-5-4-2;3-1-2-4/h3,5H,4H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H2/b5-3+;;.
What are the key properties of ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene?
ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene has a molecular weight of 222.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxyethane;(E)-1-ethoxyprop-1-ene is sourced from PubChem (CID 87084077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).