(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene

C29H36F4O3 — CID 143772618

IUPAC(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-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)C(C)COC(C)OCCC)C(=C)/C(F)=C(\F)C(=C)O/C=C\C
InChIInChI=1S/C29H36F4O3/c1-11-15-34-24(9)29(33)28(32)22(7)19(4)14-13-18(3)21(6)26(30)27(31)23(8)20(5)17-36-25(10)35-16-12-2/h11,13-15,20,25H,3-4,6-9,12,16-17H2,1-2,5,10H3/b14-13-,15-11-,27-26-,29-28-
InChIKeyCWSFOTVDAQFLSL-QLUKXBOMSA-N
MW508.60 g/mol
LogP9.11
Rot. Bonds17

About (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene

(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene (PubChem CID 143772618) has the molecular formula C29H36F4O3 and a molecular weight of 508.60 g/mol. Its IUPAC name is (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-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,11Z)-3,4,11,12-tetrafluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene
PubChem CID143772618
Molecular FormulaC29H36F4O3
Molecular Weight508.60 g/mol
Exact Mass508.26
IUPAC Name(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-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)C(C)COC(C)OCCC)C(=C)/C(F)=C(\F)C(=C)O/C=C\C
InChIInChI=1S/C29H36F4O3/c1-11-15-34-24(9)29(33)28(32)22(7)19(4)14-13-18(3)21(6)26(30)27(31)23(8)20(5)17-36-25(10)35-16-12-2/h11,13-15,20,25H,3-4,6-9,12,16-17H2,1-2,5,10H3/b14-13-,15-11-,27-26-,29-28-
InChIKeyCWSFOTVDAQFLSL-QLUKXBOMSA-N
XLogP9.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 59.11
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,11Z)-3,4,11,12-tetrafluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-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,11Z)-3,4,11,12-tetrafluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene (CID 143772618) is (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-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,11Z)-3,4,11,12-tetrafluoro-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,11Z)-3,4,11,12-tetrafluoro-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)C(C)COC(C)OCCC)C(=C)/C(F)=C(\F)C(=C)O/C=C\C.
What is the InChIKey of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-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 CWSFOTVDAQFLSL-QLUKXBOMSA-N. The full InChI is InChI=1S/C29H36F4O3/c1-11-15-34-24(9)29(33)28(32)22(7)19(4)14-13-18(3)21(6)26(30)27(31)23(8)20(5)17-36-25(10)35-16-12-2/h11,13-15,20,25H,3-4,6-9,12,16-17H2,1-2,5,10H3/b14-13-,15-11-,27-26-,29-28-.
What are the key properties of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-15-(1-propoxyethoxy)pentadeca-1,3,7,11-tetraene?
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-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 508.60 g/mol, XLogP of 9.11, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-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 143772618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).