bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane

C16H40O6 — CID 173106900

IUPACbis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane
SMILESCCCCCCOCC.CCOCC.OCCO.OCCO
InChIInChI=1S/C8H18O.C4H10O.2C2H6O2/c1-3-5-6-7-8-9-4-2;1-3-5-4-2;2*3-1-2-4/h3-8H2,1-2H3;3-4H2,1-2H3;2*3-4H,1-2H2
InChIKeyPLVJSCXGFKSWNV-UHFFFAOYSA-N
MW328.49 g/mol
LogP1.59
Rot. Bonds10

About bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane

bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane (PubChem CID 173106900) has the molecular formula C16H40O6 and a molecular weight of 328.49 g/mol. Its IUPAC name is bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane.

Molecular Properties

Compound Namebis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane
PubChem CID173106900
Molecular FormulaC16H40O6
Molecular Weight328.49 g/mol
Exact Mass328.28
IUPAC Namebis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane
SMILESCCCCCCOCC.CCOCC.OCCO.OCCO
InChIInChI=1S/C8H18O.C4H10O.2C2H6O2/c1-3-5-6-7-8-9-4-2;1-3-5-4-2;2*3-1-2-4/h3-8H2,1-2H3;3-4H2,1-2H3;2*3-4H,1-2H2
InChIKeyPLVJSCXGFKSWNV-UHFFFAOYSA-N
XLogP1.59
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane 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

ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol
CID 87199991
ethane-1,2-diol;1-ethoxybutane
CID 23504299
ethane-1,2-diol;1-pentoxyheptane
CID 175114778
ethoxyethane;2-(2-hydroxyethoxy)ethanol;1-propoxyhexane
CID 88505248
1-dodecoxydodecane;ethane-1,2-diol;ethene
CID 173013653
ethane-1,2-diol;ethene;1-heptoxyheptane
CID 87122175
ethane-1,2-diol;2-octoxyethanol
CID 87517178
ethane-1,2-diol;ethene;1-hexoxyhexane
CID 87095101
1-dodecoxydodecane;ethane-1,2-diol;ethene
CID 173005650
1-(3-ethoxypropoxy)tetradecane
CID 91693148
10-ethoxydecan-1-ol
CID 22412883
ethoxyethane;tridecan-1-ol
CID 87091597

Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane?
The IUPAC name of bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane (CID 173106900) is bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane.
What is the SMILES notation for bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane?
The canonical SMILES for bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane is CCCCCCOCC.CCOCC.OCCO.OCCO.
What is the InChIKey of bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane?
The InChIKey is PLVJSCXGFKSWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C4H10O.2C2H6O2/c1-3-5-6-7-8-9-4-2;1-3-5-4-2;2*3-1-2-4/h3-8H2,1-2H3;3-4H2,1-2H3;2*3-4H,1-2H2.
What are the key properties of bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane?
bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane has a molecular weight of 328.49 g/mol, XLogP of 1.59, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diol);ethoxyethane;1-ethoxyhexane is sourced from PubChem (CID 173106900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).