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

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'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875384
prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875383
(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
CID 143909116
ethene;(4E,7Z,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-4,7,15,17-tetraen-2-ol
CID 143909089
(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
CID 143875087
(3Z)-7-butan-2-yloxy-3,4-difluoro-2-methoxy-6-methyl-5-methylidenehepta-1,3-diene;propane
CID 145298574
but-1-ene;4-[4-[(8Z)-8,9-difluoro-10-methoxy-3,6-dimethyl-7-methylideneundeca-8,10-dienyl]-2,3-difluorophenyl]cyclohex-3-en-1-ol
CID 143909069
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11-tetraene
CID 143772829
4-[(8Z)-8,9-difluoro-10-methoxy-3,6-dimethyl-7-methylideneundeca-8,10-dienyl]-3-fluorophenol;prop-1-ene
CID 143875248
(3Z,13E)-3,4,13-trifluoro-15-methoxy-8,11-dimethyl-5,12-dimethylidenehexadeca-1,3,13,15-tetraen-6-yn-2-ol
CID 143875056
1-[(8Z)-8,9-difluoro-10-methoxy-3,6-dimethyl-7-methylideneundeca-8,10-dienyl]-2,3-difluoro-4-methoxybenzene
CID 143875352
(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 176948900

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).