ethoxyethane;2-methoxyethanol;bis(prop-1-ene)

C13H30O3 — CID 173293108

IUPACethoxyethane;2-methoxyethanol;bis(prop-1-ene)
SMILESC=CC.C=CC.CCOCC.COCCO
InChIInChI=1S/C4H10O.C3H8O2.2C3H6/c1-3-5-4-2;1-5-3-2-4;2*1-3-2/h3-4H2,1-2H3;4H,2-3H2,1H3;2*3H,1H2,2H3
InChIKeyNFXSAKGODYCLHW-UHFFFAOYSA-N
MW234.38 g/mol
LogP3.05
Rot. Bonds4

About ethoxyethane;2-methoxyethanol;bis(prop-1-ene)

ethoxyethane;2-methoxyethanol;bis(prop-1-ene) (PubChem CID 173293108) has the molecular formula C13H30O3 and a molecular weight of 234.38 g/mol. Its IUPAC name is ethoxyethane;2-methoxyethanol;bis(prop-1-ene).

Molecular Properties

Compound Nameethoxyethane;2-methoxyethanol;bis(prop-1-ene)
PubChem CID173293108
Molecular FormulaC13H30O3
Molecular Weight234.38 g/mol
Exact Mass234.22
IUPAC Nameethoxyethane;2-methoxyethanol;bis(prop-1-ene)
SMILESC=CC.C=CC.CCOCC.COCCO
InChIInChI=1S/C4H10O.C3H8O2.2C3H6/c1-3-5-4-2;1-5-3-2-4;2*1-3-2/h3-4H2,1-2H3;4H,2-3H2,1H3;2*3H,1H2,2H3
InChIKeyNFXSAKGODYCLHW-UHFFFAOYSA-N
XLogP3.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethanol;nonakis(prop-1-ene)
CID 173188725
2-methoxyethanol;tris(prop-1-ene)
CID 172995123
ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)
CID 173186876
ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 87195266
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144
ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate
CID 172999009
2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene)
CID 173295761
ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene
CID 172999503
2-methoxyethanol;propan-2-ol;prop-1-ene
CID 87495214
ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene
CID 87402389
ethoxyethane;prop-1-ene
CID 22712887
ethoxyethane;2-(2-hydroxyethoxy)ethanol;2-(2-methoxyethoxy)ethanol
CID 138488183

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-methoxyethanol;bis(prop-1-ene)?
The IUPAC name of ethoxyethane;2-methoxyethanol;bis(prop-1-ene) (CID 173293108) is ethoxyethane;2-methoxyethanol;bis(prop-1-ene).
What is the SMILES notation for ethoxyethane;2-methoxyethanol;bis(prop-1-ene)?
The canonical SMILES for ethoxyethane;2-methoxyethanol;bis(prop-1-ene) is C=CC.C=CC.CCOCC.COCCO.
What is the InChIKey of ethoxyethane;2-methoxyethanol;bis(prop-1-ene)?
The InChIKey is NFXSAKGODYCLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8O2.2C3H6/c1-3-5-4-2;1-5-3-2-4;2*1-3-2/h3-4H2,1-2H3;4H,2-3H2,1H3;2*3H,1H2,2H3.
What are the key properties of ethoxyethane;2-methoxyethanol;bis(prop-1-ene)?
ethoxyethane;2-methoxyethanol;bis(prop-1-ene) has a molecular weight of 234.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-methoxyethanol;bis(prop-1-ene) is sourced from PubChem (CID 173293108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).