ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol

C25H54O5 — CID 173186906

IUPACethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.COC(C)COC(C)CO.OCCO
InChIInChI=1S/C7H16O3.C2H6O2.8C2H4/c1-6(4-8)10-5-7(2)9-3;3-1-2-4;8*1-2/h6-8H,4-5H2,1-3H3;3-4H,1-2H2;8*1-2H2
InChIKeyLDOAFVWESUTFDL-UHFFFAOYSA-N
MW434.70 g/mol
LogP5.81
Rot. Bonds6

About ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol

ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol (PubChem CID 173186906) has the molecular formula C25H54O5 and a molecular weight of 434.70 g/mol. Its IUPAC name is ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol.

Molecular Properties

Compound Nameethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol
PubChem CID173186906
Molecular FormulaC25H54O5
Molecular Weight434.70 g/mol
Exact Mass434.40
IUPAC Nameethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.COC(C)COC(C)CO.OCCO
InChIInChI=1S/C7H16O3.C2H6O2.8C2H4/c1-6(4-8)10-5-7(2)9-3;3-1-2-4;8*1-2/h6-8H,4-5H2,1-3H3;3-4H,1-2H2;8*1-2H2
InChIKeyLDOAFVWESUTFDL-UHFFFAOYSA-N
XLogP5.81
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.70
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol 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

2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87903083
2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87899211
methoxymethane;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
CID 161462998
2-(2-methoxypropoxy)propan-1-ol;propane-1,2-diol
CID 87149453
2-[2-(2-ethoxypropoxy)propoxy]propan-1-ol;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
CID 160742251
2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
CID 86606253
ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 173215774
2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
CID 87458381
2-(2-hydroxyethoxy)ethanol;1-methoxy-2-(2-methoxypropoxy)propane
CID 175459018
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol?
The IUPAC name of ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol (CID 173186906) is ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol.
What is the SMILES notation for ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol?
The canonical SMILES for ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol is C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.COC(C)COC(C)CO.OCCO.
What is the InChIKey of ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol?
The InChIKey is LDOAFVWESUTFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3.C2H6O2.8C2H4/c1-6(4-8)10-5-7(2)9-3;3-1-2-4;8*1-2/h6-8H,4-5H2,1-3H3;3-4H,1-2H2;8*1-2H2.
What are the key properties of ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol?
ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol has a molecular weight of 434.70 g/mol, XLogP of 5.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethene;2-(2-methoxypropoxy)propan-1-ol is sourced from PubChem (CID 173186906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).