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

C15H34O4 — CID 173295761

IUPAC2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene)
SMILESC=CC.C=CC.CCCCOCCO.COCCO
InChIInChI=1S/C6H14O2.C3H8O2.2C3H6/c1-2-3-5-8-6-4-7;1-5-3-2-4;2*1-3-2/h7H,2-6H2,1H3;4H,2-3H2,1H3;2*3H,1H2,2H3
InChIKeyDISYJNQICXSUDC-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.81
Rot. Bonds7

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

2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene) (PubChem CID 173295761) has the molecular formula C15H34O4 and a molecular weight of 278.43 g/mol. Its IUPAC name is 2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene).

Molecular Properties

Compound Name2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene)
PubChem CID173295761
Molecular FormulaC15H34O4
Molecular Weight278.43 g/mol
Exact Mass278.25
IUPAC Name2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene)
SMILESC=CC.C=CC.CCCCOCCO.COCCO
InChIInChI=1S/C6H14O2.C3H8O2.2C3H6/c1-2-3-5-8-6-4-7;1-5-3-2-4;2*1-3-2/h7H,2-6H2,1H3;4H,2-3H2,1H3;2*3H,1H2,2H3
InChIKeyDISYJNQICXSUDC-UHFFFAOYSA-N
XLogP2.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
2-methoxyethanol;nonakis(prop-1-ene)
CID 173188725
2-butoxyethanol
CID 8133
2-methoxyethanol;tris(prop-1-ene)
CID 172995123
ethoxyethane;2-methoxyethanol;bis(prop-1-ene)
CID 173293108
1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane
CID 175360949
2-butoxyethanol;molecular nitrogen
CID 86737982
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)
CID 173186876
2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 174828919
methane;1-(2-methoxyethoxy)butane;propan-1-ol
CID 167623452

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene)?
The IUPAC name of 2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene) (CID 173295761) is 2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene).
What is the SMILES notation for 2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene)?
The canonical SMILES for 2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene) is C=CC.C=CC.CCCCOCCO.COCCO.
What is the InChIKey of 2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene)?
The InChIKey is DISYJNQICXSUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C3H8O2.2C3H6/c1-2-3-5-8-6-4-7;1-5-3-2-4;2*1-3-2/h7H,2-6H2,1H3;4H,2-3H2,1H3;2*3H,1H2,2H3.
What are the key properties of 2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene)?
2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene) has a molecular weight of 278.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene) is sourced from PubChem (CID 173295761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).