(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene

C29H36F4O — CID 143772499

IUPAC(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)COC(C)C)C(=C)/C(F)=C(/F)C(=C)CC/C=C/C
InChIInChI=1S/C29H36F4O/c1-11-12-13-14-21(6)26(30)27(31)23(8)19(4)15-16-20(5)24(9)28(32)29(33)25(10)22(7)17-34-18(2)3/h11-12,15-16,18,22H,4-6,8-10,13-14,17H2,1-3,7H3/b12-11+,16-15-,27-26-,29-28-
InChIKeyISSDJVYATGBMPK-YBCJXCNUSA-N
MW476.60 g/mol
LogP9.60
Rot. Bonds15

About (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene

(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene (PubChem CID 143772499) has the molecular formula C29H36F4O and a molecular weight of 476.60 g/mol. Its IUPAC name is (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene.

Molecular Properties

Compound Name(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
PubChem CID143772499
Molecular FormulaC29H36F4O
Molecular Weight476.60 g/mol
Exact Mass476.27
IUPAC Name(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)COC(C)C)C(=C)/C(F)=C(/F)C(=C)CC/C=C/C
InChIInChI=1S/C29H36F4O/c1-11-12-13-14-21(6)26(30)27(31)23(8)19(4)15-16-20(5)24(9)28(32)29(33)25(10)22(7)17-34-18(2)3/h11-12,15-16,18,22H,4-6,8-10,13-14,17H2,1-3,7H3/b12-11+,16-15-,27-26-,29-28-
InChIKeyISSDJVYATGBMPK-YBCJXCNUSA-N
XLogP9.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene?
The IUPAC name of (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene (CID 143772499) is (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene.
What is the SMILES notation for (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene?
The canonical SMILES for (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene is C=C(/C=C\C(=C)C(=C)/C(F)=C(/F)C(=C)C(C)COC(C)C)C(=C)/C(F)=C(/F)C(=C)CC/C=C/C.
What is the InChIKey of (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene?
The InChIKey is ISSDJVYATGBMPK-YBCJXCNUSA-N. The full InChI is InChI=1S/C29H36F4O/c1-11-12-13-14-21(6)26(30)27(31)23(8)19(4)15-16-20(5)24(9)28(32)29(33)25(10)22(7)17-34-18(2)3/h11-12,15-16,18,22H,4-6,8-10,13-14,17H2,1-3,7H3/b12-11+,16-15-,27-26-,29-28-.
What are the key properties of (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene?
(2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene has a molecular weight of 476.60 g/mol, XLogP of 9.60, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18-methyl-6,9,10,13,14,17-hexamethylidene-19-propan-2-yloxynonadeca-2,7,11,15-tetraene is sourced from PubChem (CID 143772499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).