(3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene

C30H37F3O2 — CID 143772399

IUPAC(3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)O/C=C\C)C(=C)/C=C(/F)C(=C)/C(C)=C/CC(C)OCCC
InChIInChI=1S/C30H37F3O2/c1-11-17-34-24(7)16-15-21(4)25(8)28(31)19-23(6)20(3)13-14-22(5)26(9)29(32)30(33)27(10)35-18-12-2/h12-15,18-19,24H,3,5-6,8-11,16-17H2,1-2,4,7H3/b14-13-,18-12-,21-15+,28-19+,30-29-
InChIKeyLSSXPRFBWTVPJZ-BVRGFNIWSA-N
MW486.62 g/mol
LogP9.54
Rot. Bonds16

About (3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene

(3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene (PubChem CID 143772399) has the molecular formula C30H37F3O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is (3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene.

Molecular Properties

Compound Name(3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene
PubChem CID143772399
Molecular FormulaC30H37F3O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name(3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)O/C=C\C)C(=C)/C=C(/F)C(=C)/C(C)=C/CC(C)OCCC
InChIInChI=1S/C30H37F3O2/c1-11-17-34-24(7)16-15-21(4)25(8)28(31)19-23(6)20(3)13-14-22(5)26(9)29(32)30(33)27(10)35-18-12-2/h12-15,18-19,24H,3,5-6,8-11,16-17H2,1-2,4,7H3/b14-13-,18-12-,21-15+,28-19+,30-29-
InChIKeyLSSXPRFBWTVPJZ-BVRGFNIWSA-N
XLogP9.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.54
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'}

Analyze (3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene with MolForge

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Related Compounds

(2E,4E,6E,8Z,11E,13Z)-5-ethyl-11-fluoro-4-methoxy-8-prop-2-enylidene-13-propylhexadeca-2,4,6,11,13-pentaene
CID 89146626
4-[(1E)-1-fluoro-3-[(2Z,4Z)-1,1,3-trifluoro-2,5-dimethylhepta-2,4,6-trienoxy]buta-1,3-dienyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyran
CID 89259538
6-(2-Fluoro-2-methylbut-3-enoxy)-3-propan-2-ylocta-1,2,4,6-tetraene
CID 91554669
(3Z)-3,4-difluoro-2-methoxy-5-methylidene-6-(2-methylidenebutoxy)hepta-1,3-diene
CID 122479835
1-Fluoro-6-methyl-5-propan-2-yloxyocta-1,3,5-triene
CID 123438716
4-Ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
CID 123931875
(3Z,5Z)-4-ethyl-2-(2-fluoro-2-methylbutoxy)-3-prop-1-en-2-ylhepta-1,3,5-triene
CID 126711027
(3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene
CID 130371096
1-[(3Z,5E)-5-ethoxy-3,4-difluorohepta-1,3,5-trien-2-yl]-4-propylcyclohepta-1,3,5-triene
CID 132036622
5-(1,1-difluoropropyl)-3-methyl-2-[(1E)-4-methyl-3-methylidene-1-propan-2-yloxypenta-1,4-dienyl]cyclohepta-1,3,5-triene
CID 132127195
(3E,5E,7E,9Z)-6,7-bis(ethenyl)-3-[(2E,4Z)-2-ethenyl-1,1-difluoro-5-methylhepta-2,4,6-trienoxy]-10-methyldodeca-1,3,5,7,9,11-hexaene
CID 132216172
1-fluoro-3-[[(3E,5Z)-octa-1,3,5-trien-4-yl]oxymethyl]cyclohexa-1,3-diene
CID 134389449

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene?
The IUPAC name of (3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene (CID 143772399) is (3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene.
What is the SMILES notation for (3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene?
The canonical SMILES for (3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene is C=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)O/C=C\C)C(=C)/C=C(/F)C(=C)/C(C)=C/CC(C)OCCC.
What is the InChIKey of (3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene?
The InChIKey is LSSXPRFBWTVPJZ-BVRGFNIWSA-N. The full InChI is InChI=1S/C30H37F3O2/c1-11-17-34-24(7)16-15-21(4)25(8)28(31)19-23(6)20(3)13-14-22(5)26(9)29(32)30(33)27(10)35-18-12-2/h12-15,18-19,24H,3,5-6,8-11,16-17H2,1-2,4,7H3/b14-13-,18-12-,21-15+,28-19+,30-29-.
What are the key properties of (3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene?
(3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene has a molecular weight of 486.62 g/mol, XLogP of 9.54, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene is sourced from PubChem (CID 143772399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).