but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene)

C38H108O13 — CID 159132370

IUPACbut-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene)
SMILESC=CC.C=CC.C=CCC.CC.CC.CCC.CCO.CCO.CCOC.CO.CO.CO.CO.CO.CO.COC.COC.COC.COC
InChIInChI=1S/C4H8.C3H8O.C3H8.2C3H6.6C2H6O.2C2H6.6CH4O/c2*1-3-4-2;7*1-3-2;2*1-2-3;8*1-2/h3H,1,4H2,2H3;3H2,1-2H3;3H2,1-2H3;2*3H,1H2,2H3;4*1-2H3;2*3H,2H2,1H3;2*1-2H3;6*2H,1H3
InChIKeyKHBDHXJPKXNWDM-UHFFFAOYSA-N
MW773.27 g/mol
LogP6.79
Rot. Bonds2

About but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene)

but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene) (PubChem CID 159132370) has the molecular formula C38H108O13 and a molecular weight of 773.27 g/mol. Its IUPAC name is but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene).

Molecular Properties

Compound Namebut-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene)
PubChem CID159132370
Molecular FormulaC38H108O13
Molecular Weight773.27 g/mol
Exact Mass772.78
IUPAC Namebut-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene)
SMILESC=CC.C=CC.C=CCC.CC.CC.CCC.CCO.CCO.CCOC.CO.CO.CO.CO.CO.CO.COC.COC.COC.COC
InChIInChI=1S/C4H8.C3H8O.C3H8.2C3H6.6C2H6O.2C2H6.6CH4O/c2*1-3-4-2;7*1-3-2;2*1-2-3;8*1-2/h3H,1,4H2,2H3;3H2,1-2H3;3H2,1-2H3;2*3H,1H2,2H3;4*1-2H3;2*3H,2H2,1H3;2*1-2H3;6*2H,1H3
InChIKeyKHBDHXJPKXNWDM-UHFFFAOYSA-N
XLogP6.79
TPSA207.99 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500773.27
LogP ≤ 56.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;ethane;ethene;propane
CID 144521241
ethanol;methane;methoxyethane
CID 157365147
but-1-ene;3-methoxyprop-1-ene
CID 157168477
but-1-ene;but-2-ene;prop-1-ene
CID 160918287
buta-1,3-diene;but-1-ene;prop-1-ene
CID 161064943
ethoxyethane;2-methoxyethanol;bis(prop-1-ene)
CID 173293108
but-1-ene;propane;propan-2-imine
CID 142132496
ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 87195266
2-methoxyethanol;nonakis(prop-1-ene)
CID 173188725
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144
2-methoxyethanol;tris(prop-1-ene)
CID 172995123
butane;ethane;propane;prop-1-ene
CID 143366707

Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene)?
The IUPAC name of but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene) (CID 159132370) is but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene).
What is the SMILES notation for but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene)?
The canonical SMILES for but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene) is C=CC.C=CC.C=CCC.CC.CC.CCC.CCO.CCO.CCOC.CO.CO.CO.CO.CO.CO.COC.COC.COC.COC.
What is the InChIKey of but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene)?
The InChIKey is KHBDHXJPKXNWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H8O.C3H8.2C3H6.6C2H6O.2C2H6.6CH4O/c2*1-3-4-2;7*1-3-2;2*1-2-3;8*1-2/h3H,1,4H2,2H3;3H2,1-2H3;3H2,1-2H3;2*3H,1H2,2H3;4*1-2H3;2*3H,2H2,1H3;2*1-2H3;6*2H,1H3.
What are the key properties of but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene)?
but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene) has a molecular weight of 773.27 g/mol, XLogP of 6.79, 2 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethane;ethanol;methanol;methoxyethane;methoxymethane;propane;bis(prop-1-ene) is sourced from PubChem (CID 159132370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).