(3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene

C18H22F4O2 — CID 145420651

IUPAC(3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene
SMILESC=C(CCOC)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)OCCC
InChIInChI=1S/C18H22F4O2/c1-7-9-24-14(5)18(22)17(21)13(4)12(3)16(20)15(19)11(2)8-10-23-6/h2-5,7-10H2,1,6H3/b16-15-,18-17-
InChIKeyCVJWPZBEYOGSTN-IUILNFPDSA-N
MW346.36 g/mol
LogP5.93
Rot. Bonds11

About (3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene

(3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene (PubChem CID 145420651) has the molecular formula C18H22F4O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is (3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene.

Molecular Properties

Compound Name(3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene
PubChem CID145420651
Molecular FormulaC18H22F4O2
Molecular Weight346.36 g/mol
Exact Mass346.16
IUPAC Name(3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene
SMILESC=C(CCOC)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)OCCC
InChIInChI=1S/C18H22F4O2/c1-7-9-24-14(5)18(22)17(21)13(4)12(3)16(20)15(19)11(2)8-10-23-6/h2-5,7-10H2,1,6H3/b16-15-,18-17-
InChIKeyCVJWPZBEYOGSTN-IUILNFPDSA-N
XLogP5.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.36
LogP ≤ 55.93
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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Related Compounds

(3Z,7Z)-3,4,7,8-tetrafluoro-2,11-dimethoxy-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145420647
(4Z,8Z)-4,5,8,9-tetrafluoro-1,12-dimethoxy-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 145420672
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-propoxyoctadeca-1,3,7,11,14-pentaene
CID 143772841
(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene
CID 145009677
1-(1-fluoroethenoxy)propane
CID 22996827
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-propoxydocosa-1,3,7,11,14-pentaene
CID 143772553
(3Z,7Z,11E)-3,4,11-trifluoro-14-(2-methylbutoxy)-5,6,9,10,13-pentamethylidene-2-propoxypentadeca-1,3,7,11-tetraene
CID 143773052
2,2,2-trifluoroethyl 4-methoxy-2-methylidenebutanoate
CID 87174824
1-methoxypropane;methyl propyl carbonate
CID 159112216
2-methoxyethyl 2-methylprop-2-enoate;propyl 2-(silylmethyl)prop-2-enoate
CID 173417772
fluoromethane;1-methoxypropane
CID 54348192
1-[4-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]phenyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 143909216

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene?
The IUPAC name of (3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene (CID 145420651) is (3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene.
What is the SMILES notation for (3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene?
The canonical SMILES for (3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene is C=C(CCOC)/C(F)=C(/F)C(=C)C(=C)/C(F)=C(\F)C(=C)OCCC.
What is the InChIKey of (3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene?
The InChIKey is CVJWPZBEYOGSTN-IUILNFPDSA-N. The full InChI is InChI=1S/C18H22F4O2/c1-7-9-24-14(5)18(22)17(21)13(4)12(3)16(20)15(19)11(2)8-10-23-6/h2-5,7-10H2,1,6H3/b16-15-,18-17-.
What are the key properties of (3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene?
(3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene has a molecular weight of 346.36 g/mol, XLogP of 5.93, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-3,4,7,8-tetrafluoro-11-methoxy-5,6,9-trimethylidene-2-propoxyundeca-1,3,7-triene is sourced from PubChem (CID 145420651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).