ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene

C11H26O5 — CID 87402389

IUPACethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene
SMILESC=CC.CCOCCOCCO.OCCO
InChIInChI=1S/C6H14O3.C3H6.C2H6O2/c1-2-8-5-6-9-4-3-7;1-3-2;3-1-2-4/h7H,2-6H2,1H3;3H,1H2,2H3;3-4H,1-2H2
InChIKeyWIZSFLZNJXCVOL-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.20
Rot. Bonds7

About ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene

ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene (PubChem CID 87402389) has the molecular formula C11H26O5 and a molecular weight of 238.32 g/mol. Its IUPAC name is ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene.

Molecular Properties

Compound Nameethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene
PubChem CID87402389
Molecular FormulaC11H26O5
Molecular Weight238.32 g/mol
Exact Mass238.18
IUPAC Nameethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene
SMILESC=CC.CCOCCOCCO.OCCO
InChIInChI=1S/C6H14O3.C3H6.C2H6O2/c1-2-8-5-6-9-4-3-7;1-3-2;3-1-2-4/h7H,2-6H2,1H3;3H,1H2,2H3;3-4H,1-2H2
InChIKeyWIZSFLZNJXCVOL-UHFFFAOYSA-N
XLogP0.20
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol;methoxymethane
CID 23133360
ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 87195266
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431
ethoxyethane;2-methoxyethanol;bis(prop-1-ene)
CID 173293108
2-ethoxyethanol;silane
CID 173283937
2-ethoxyethanol;neodymium
CID 174490221
2-(2-ethoxyethoxy)ethanol;methyl prop-2-enoate
CID 159658370
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
CID 18993831

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene?
The IUPAC name of ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene (CID 87402389) is ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene.
What is the SMILES notation for ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene?
The canonical SMILES for ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene is C=CC.CCOCCOCCO.OCCO.
What is the InChIKey of ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene?
The InChIKey is WIZSFLZNJXCVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C3H6.C2H6O2/c1-2-8-5-6-9-4-3-7;1-3-2;3-1-2-4/h7H,2-6H2,1H3;3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene?
ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene has a molecular weight of 238.32 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene is sourced from PubChem (CID 87402389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).