bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)

C14H34O5 — CID 173332144

IUPACbis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
SMILESC=CC.C=CC.CCOCC.OCCO.OCCO
InChIInChI=1S/C4H10O.2C3H6.2C2H6O2/c1-3-5-4-2;2*1-3-2;2*3-1-2-4/h3-4H2,1-2H3;2*3H,1H2,2H3;2*3-4H,1-2H2
InChIKeyCECXMMYBDNHYLN-UHFFFAOYSA-N
MW282.42 g/mol
LogP1.37
Rot. Bonds4

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

bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene) (PubChem CID 173332144) has the molecular formula C14H34O5 and a molecular weight of 282.42 g/mol. Its IUPAC name is bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene).

Molecular Properties

Compound Namebis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
PubChem CID173332144
Molecular FormulaC14H34O5
Molecular Weight282.42 g/mol
Exact Mass282.24
IUPAC Namebis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
SMILESC=CC.C=CC.CCOCC.OCCO.OCCO
InChIInChI=1S/C4H10O.2C3H6.2C2H6O2/c1-3-5-4-2;2*1-3-2;2*3-1-2-4/h3-4H2,1-2H3;2*3H,1H2,2H3;2*3-4H,1-2H2
InChIKeyCECXMMYBDNHYLN-UHFFFAOYSA-N
XLogP1.37
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Buta-1,3-diene;2-(2-hydroxyethoxy)ethanol
CID 18352039
2-[2-(2-Hydroxyethoxy)ethoxy]ethanol;3-methoxyprop-1-ene
CID 18464060
Bis(ethane-1,2-diol);bis(prop-1-ene)
CID 18798118
1-Butoxybutane;bis(ethane-1,2-diol);prop-1-ene
CID 19977553
2-[2-(2-Hydroxyethoxy)ethoxy]ethanol;bis(prop-1-ene)
CID 20339838
Bis(ethane-1,2-diol);tris(prop-1-ene)
CID 21518942
2-[2-(2-Hydroxyethoxy)ethoxy]ethanol;3-methylperoxyprop-1-ene
CID 21930471
Ethane-1,2-diol;ethenoxyethene;bis(prop-1-ene)
CID 21960781
Azane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene
CID 21976168
Bis(ethane-1,2-diol);prop-1-ene
CID 22123481
2-(2-Hydroxyethoxy)ethanol;3-methoxyprop-1-ene
CID 22616695
Buta-1,3-diene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 22990426

Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)?
The IUPAC name of bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene) (CID 173332144) is bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene).
What is the SMILES notation for bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)?
The canonical SMILES for bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene) is C=CC.C=CC.CCOCC.OCCO.OCCO.
What is the InChIKey of bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)?
The InChIKey is CECXMMYBDNHYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.2C3H6.2C2H6O2/c1-3-5-4-2;2*1-3-2;2*3-1-2-4/h3-4H2,1-2H3;2*3H,1H2,2H3;2*3-4H,1-2H2.
What are the key properties of bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)?
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene) has a molecular weight of 282.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene) is sourced from PubChem (CID 173332144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).