(3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene

C29H35F3O — CID 143772441

IUPAC(3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene
SMILESC=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C\C(=C)/C(C)=C/CC(C)CC
InChIInChI=1S/C29H35F3O/c1-11-17-33-26(10)29(32)28(31)25(9)22(6)16-15-21(5)24(8)27(30)18-23(7)20(4)14-13-19(3)12-2/h11,14-16,18-19H,1,5-10,12-13,17H2,2-4H3/b16-15-,20-14+,27-18+,29-28-
InChIKeyUEIVEGAVOMBYOI-NXHMSKHHSA-N
MW456.59 g/mol
LogP9.43
Rot. Bonds15

About (3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene

(3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene (PubChem CID 143772441) has the molecular formula C29H35F3O and a molecular weight of 456.59 g/mol. Its IUPAC name is (3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene.

Molecular Properties

Compound Name(3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene
PubChem CID143772441
Molecular FormulaC29H35F3O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name(3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene
SMILESC=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C\C(=C)/C(C)=C/CC(C)CC
InChIInChI=1S/C29H35F3O/c1-11-17-33-26(10)29(32)28(31)25(9)22(6)16-15-21(5)24(8)27(30)18-23(7)20(4)14-13-19(3)12-2/h11,14-16,18-19H,1,5-10,12-13,17H2,2-4H3/b16-15-,20-14+,27-18+,29-28-
InChIKeyUEIVEGAVOMBYOI-NXHMSKHHSA-N
XLogP9.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene?
The IUPAC name of (3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene (CID 143772441) is (3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene.
What is the SMILES notation for (3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene?
The canonical SMILES for (3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene is C=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C(F)=C\C(=C)/C(C)=C/CC(C)CC.
What is the InChIKey of (3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene?
The InChIKey is UEIVEGAVOMBYOI-NXHMSKHHSA-N. The full InChI is InChI=1S/C29H35F3O/c1-11-17-33-26(10)29(32)28(31)25(9)22(6)16-15-21(5)24(8)27(30)18-23(7)20(4)14-13-19(3)12-2/h11,14-16,18-19H,1,5-10,12-13,17H2,2-4H3/b16-15-,20-14+,27-18+,29-28-.
What are the key properties of (3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene?
(3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene has a molecular weight of 456.59 g/mol, XLogP of 9.43, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11E,14E)-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxynonadeca-1,3,7,11,14-pentaene is sourced from PubChem (CID 143772441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).