(3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene

C29H37F3O3 — CID 143773053

IUPAC(3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)O/C=C\C)C(=C)/C(F)=C/C(=C)C(C)COC(C)OCCC
InChIInChI=1S/C29H37F3O3/c1-11-15-33-25(9)29(32)28(31)24(8)20(4)14-13-19(3)23(7)27(30)17-21(5)22(6)18-35-26(10)34-16-12-2/h11,13-15,17,22,26H,3-5,7-9,12,16,18H2,1-2,6,10H3/b14-13-,15-11-,27-17+,29-28-
InChIKeySTSKYUJJSDTDOB-HAGKHAMWSA-N
MW490.61 g/mol
LogP8.82
Rot. Bonds17

About (3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene

(3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene (PubChem CID 143773053) has the molecular formula C29H37F3O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is (3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene.

Molecular Properties

Compound Name(3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene
PubChem CID143773053
Molecular FormulaC29H37F3O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name(3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)O/C=C\C)C(=C)/C(F)=C/C(=C)C(C)COC(C)OCCC
InChIInChI=1S/C29H37F3O3/c1-11-15-33-25(9)29(32)28(31)24(8)20(4)14-13-19(3)23(7)27(30)17-21(5)22(6)18-35-26(10)34-16-12-2/h11,13-15,17,22,26H,3-5,7-9,12,16,18H2,1-2,6,10H3/b14-13-,15-11-,27-17+,29-28-
InChIKeySTSKYUJJSDTDOB-HAGKHAMWSA-N
XLogP8.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene?
The IUPAC name of (3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene (CID 143773053) is (3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene.
What is the SMILES notation for (3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene?
The canonical SMILES for (3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene is C=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)O/C=C\C)C(=C)/C(F)=C/C(=C)C(C)COC(C)OCCC.
What is the InChIKey of (3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene?
The InChIKey is STSKYUJJSDTDOB-HAGKHAMWSA-N. The full InChI is InChI=1S/C29H37F3O3/c1-11-15-33-25(9)29(32)28(31)24(8)20(4)14-13-19(3)23(7)27(30)17-21(5)22(6)18-35-26(10)34-16-12-2/h11,13-15,17,22,26H,3-5,7-9,12,16,18H2,1-2,6,10H3/b14-13-,15-11-,27-17+,29-28-.
What are the key properties of (3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene?
(3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene has a molecular weight of 490.61 g/mol, XLogP of 8.82, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene is sourced from PubChem (CID 143773053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).