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But-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol

C23H32F4O2 — CID 143875080

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACbut-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OC.C=CCC
InChIInChI=1S/C19H24F4O2.C4H8/c1-10(12(3)16(20)18(22)14(5)24)8-9-11(2)13(4)17(21)19(23)15(6)25-7;1-3-4-2/h10-11,24H,3-6,8-9H2,1-2,7H3;3H,1,4H2,2H3/b18-16-,19-17-;
InChIKeyWZMJLNNQMWQUTF-BBJOEVDKSA-N
MW416.50 g/mol
LogP8.27
Rot. Bonds11

About But-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol

But-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol (PubChem CID 143875080) has the molecular formula C23H32F4O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is but-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol.

Molecular Properties

Compound NameBut-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
PubChem CID143875080
Molecular FormulaC23H32F4O2
Molecular Weight416.50 g/mol
Exact Mass416.23
IUPAC Namebut-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OC.C=CCC
InChIInChI=1S/C19H24F4O2.C4H8/c1-10(12(3)16(20)18(22)14(5)24)8-9-11(2)13(4)17(21)19(23)15(6)25-7;1-3-4-2/h10-11,24H,3-6,8-9H2,1-2,7H3;3H,1,4H2,2H3/b18-16-,19-17-;
InChIKeyWZMJLNNQMWQUTF-BBJOEVDKSA-N
XLogP8.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of But-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol?
The IUPAC name of But-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol (CID 143875080) is but-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol.
What is the SMILES notation for But-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol?
The canonical SMILES for But-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol is C=C(O)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OC.C=CCC.
What is the InChIKey of But-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol?
The InChIKey is WZMJLNNQMWQUTF-BBJOEVDKSA-N. The full InChI is InChI=1S/C19H24F4O2.C4H8/c1-10(12(3)16(20)18(22)14(5)24)8-9-11(2)13(4)17(21)19(23)15(6)25-7;1-3-4-2/h10-11,24H,3-6,8-9H2,1-2,7H3;3H,1,4H2,2H3/b18-16-,19-17-;.
What are the key properties of But-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol?
But-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol has a molecular weight of 416.50 g/mol, XLogP of 8.27, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for But-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol is sourced from PubChem (CID 143875080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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