butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane

C16H30F2O2 — CID 145009669

IUPACbutane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane
SMILESC=C(OC)/C(F)=C(/F)C(=C)OCC.CCC.CCCC
InChIInChI=1S/C9H12F2O2.C4H10.C3H8/c1-5-13-7(3)9(11)8(10)6(2)12-4;1-3-4-2;1-3-2/h2-3,5H2,1,4H3;3-4H2,1-2H3;3H2,1-2H3/b9-8-;;
InChIKeyQMPWIOOVAPEVMU-ULDSSAIZSA-N
MW292.41 g/mol
LogP6.07
Rot. Bonds6

About butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane

butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane (PubChem CID 145009669) has the molecular formula C16H30F2O2 and a molecular weight of 292.41 g/mol. Its IUPAC name is butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane.

Molecular Properties

Compound Namebutane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane
PubChem CID145009669
Molecular FormulaC16H30F2O2
Molecular Weight292.41 g/mol
Exact Mass292.22
IUPAC Namebutane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane
SMILESC=C(OC)/C(F)=C(/F)C(=C)OCC.CCC.CCCC
InChIInChI=1S/C9H12F2O2.C4H10.C3H8/c1-5-13-7(3)9(11)8(10)6(2)12-4;1-3-4-2;1-3-2/h2-3,5H2,1,4H3;3-4H2,1-2H3;3H2,1-2H3/b9-8-;;
InChIKeyQMPWIOOVAPEVMU-ULDSSAIZSA-N
XLogP6.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.41
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane?
The IUPAC name of butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane (CID 145009669) is butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane.
What is the SMILES notation for butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane?
The canonical SMILES for butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane is C=C(OC)/C(F)=C(/F)C(=C)OCC.CCC.CCCC.
What is the InChIKey of butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane?
The InChIKey is QMPWIOOVAPEVMU-ULDSSAIZSA-N. The full InChI is InChI=1S/C9H12F2O2.C4H10.C3H8/c1-5-13-7(3)9(11)8(10)6(2)12-4;1-3-4-2;1-3-2/h2-3,5H2,1,4H3;3-4H2,1-2H3;3H2,1-2H3/b9-8-;;.
What are the key properties of butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane?
butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane has a molecular weight of 292.41 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene;propane is sourced from PubChem (CID 145009669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).