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

C22H31F3O2 — CID 143875383

IUPACprop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
SMILESC=C(O)/C=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OC.C=CC
InChIInChI=1S/C19H25F3O2.C3H6/c1-11(14(4)17(20)10-13(3)23)8-9-12(2)15(5)18(21)19(22)16(6)24-7;1-3-2/h10-12,23H,3-6,8-9H2,1-2,7H3;3H,1H2,2H3/b17-10+,19-18-;
InChIKeyVBMITDJNYAOHMB-HOHJXNRHSA-N
MW384.48 g/mol
LogP7.58
Rot. Bonds10

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

prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol (PubChem CID 143875383) has the molecular formula C22H31F3O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol.

Molecular Properties

Compound Nameprop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
PubChem CID143875383
Molecular FormulaC22H31F3O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Nameprop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
SMILESC=C(O)/C=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OC.C=CC
InChIInChI=1S/C19H25F3O2.C3H6/c1-11(14(4)17(20)10-13(3)23)8-9-12(2)15(5)18(21)19(22)16(6)24-7;1-3-2/h10-12,23H,3-6,8-9H2,1-2,7H3;3H,1H2,2H3/b17-10+,19-18-;
InChIKeyVBMITDJNYAOHMB-HOHJXNRHSA-N
XLogP7.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.58
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 prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol with MolForge

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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
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
(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
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
(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
(3Z,7Z,11E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11-tetraene
CID 143773158
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
(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
CID 143777022

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol?
The IUPAC name of 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) is prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol.
What is the SMILES notation for prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol?
The canonical SMILES for prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol is C=C(O)/C=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OC.C=CC.
What is the InChIKey of prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol?
The InChIKey is VBMITDJNYAOHMB-HOHJXNRHSA-N. The full InChI is InChI=1S/C19H25F3O2.C3H6/c1-11(14(4)17(20)10-13(3)23)8-9-12(2)15(5)18(21)19(22)16(6)24-7;1-3-2/h10-12,23H,3-6,8-9H2,1-2,7H3;3H,1H2,2H3/b17-10+,19-18-;.
What are the key properties of prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol?
prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol has a molecular weight of 384.48 g/mol, XLogP of 7.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol is sourced from PubChem (CID 143875383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).