ethane-1,2-diol;ethanol;octoxybenzene

C18H34O4 — CID 175008384

IUPACethane-1,2-diol;ethanol;octoxybenzene
SMILESCCCCCCCCOc1ccccc1.CCO.OCCO
InChIInChI=1S/C14H22O.C2H6O2.C2H6O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14;3-1-2-4;1-2-3/h7-9,11-12H,2-6,10,13H2,1H3;3-4H,1-2H2;3H,2H2,1H3
InChIKeyDVJIQMLUIUKQMO-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.40
Rot. Bonds9

About ethane-1,2-diol;ethanol;octoxybenzene

ethane-1,2-diol;ethanol;octoxybenzene (PubChem CID 175008384) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is ethane-1,2-diol;ethanol;octoxybenzene.

Molecular Properties

Compound Nameethane-1,2-diol;ethanol;octoxybenzene
PubChem CID175008384
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Nameethane-1,2-diol;ethanol;octoxybenzene
SMILESCCCCCCCCOc1ccccc1.CCO.OCCO
InChIInChI=1S/C14H22O.C2H6O2.C2H6O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14;3-1-2-4;1-2-3/h7-9,11-12H,2-6,10,13H2,1H3;3-4H,1-2H2;3H,2H2,1H3
InChIKeyDVJIQMLUIUKQMO-UHFFFAOYSA-N
XLogP3.40
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane-1,2-diol;ethanol;octoxybenzene 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

pentoxybenzene;undecane
CID 174778179
2-phenoxyethanol;tetradecan-1-ol
CID 118450850
benzene;ethane;heptane;methane;2-phenoxyethanol;propane
CID 158024882
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
7-phenoxyheptan-1-ol
CID 15856264
2-dodecoxyethoxybenzene
CID 67831231
ethene;nonoxybenzene;phenoxybenzene
CID 174749747
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
azane;pentoxybenzene;sulfuric acid
CID 173020031
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethanol;octoxybenzene?
The IUPAC name of ethane-1,2-diol;ethanol;octoxybenzene (CID 175008384) is ethane-1,2-diol;ethanol;octoxybenzene.
What is the SMILES notation for ethane-1,2-diol;ethanol;octoxybenzene?
The canonical SMILES for ethane-1,2-diol;ethanol;octoxybenzene is CCCCCCCCOc1ccccc1.CCO.OCCO.
What is the InChIKey of ethane-1,2-diol;ethanol;octoxybenzene?
The InChIKey is DVJIQMLUIUKQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C2H6O2.C2H6O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14;3-1-2-4;1-2-3/h7-9,11-12H,2-6,10,13H2,1H3;3-4H,1-2H2;3H,2H2,1H3.
What are the key properties of ethane-1,2-diol;ethanol;octoxybenzene?
ethane-1,2-diol;ethanol;octoxybenzene has a molecular weight of 314.47 g/mol, XLogP of 3.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethanol;octoxybenzene is sourced from PubChem (CID 175008384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).