(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene

C26H46F2 — CID 143777022

IUPAC(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
SMILESC=C(/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)C)C(C)CCC(C)C
InChIInChI=1S/C26H46F2/c1-17(2)11-13-19(5)20(6)15-16-22(8)24(10)26(28)25(27)23(9)21(7)14-12-18(3)4/h17-22H,9-16H2,1-8H3/b26-25-
InChIKeyGTSTWULAAWCMKD-QPLCGJKRSA-N
MW396.65 g/mol
LogP9.45
Rot. Bonds14

About (Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene

(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene (PubChem CID 143777022) has the molecular formula C26H46F2 and a molecular weight of 396.65 g/mol. Its IUPAC name is (Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene.

Molecular Properties

Compound Name(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
PubChem CID143777022
Molecular FormulaC26H46F2
Molecular Weight396.65 g/mol
Exact Mass396.36
IUPAC Name(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
SMILESC=C(/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)C)C(C)CCC(C)C
InChIInChI=1S/C26H46F2/c1-17(2)11-13-19(5)20(6)15-16-22(8)24(10)26(28)25(27)23(9)21(7)14-12-18(3)4/h17-22H,9-16H2,1-8H3/b26-25-
InChIKeyGTSTWULAAWCMKD-QPLCGJKRSA-N
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene with MolForge

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Related Compounds

(7Z,11Z,15Z)-7,8,15,16-tetrafluoro-18,21-dimethyl-6,9,10,13,14,17-hexamethylidenedocosa-1,7,11,15-tetraene
CID 143772648
(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
CID 143875087
(2S,3R)-2-(18F)fluoro-3,6-dimethylheptane
CID 153412007
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11-tetraene
CID 143772829
(7Z,15E)-7,8,16-trifluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-7,15,17-trien-2-ol
CID 143909116
(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875384
but-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875080
CID 173481307
CID 173481307
(E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol
CID 145234988
N,2,6-trimethylhept-1-en-3-amine
CID 79190078
prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875383
(E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane
CID 145312710

Frequently Asked Questions

What is the IUPAC name of (Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene?
The IUPAC name of (Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene (CID 143777022) is (Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene.
What is the SMILES notation for (Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene?
The canonical SMILES for (Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene is C=C(/C(F)=C(/F)C(=C)C(C)CCC(C)C(C)CCC(C)C)C(C)CCC(C)C.
What is the InChIKey of (Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene?
The InChIKey is GTSTWULAAWCMKD-QPLCGJKRSA-N. The full InChI is InChI=1S/C26H46F2/c1-17(2)11-13-19(5)20(6)15-16-22(8)24(10)26(28)25(27)23(9)21(7)14-12-18(3)4/h17-22H,9-16H2,1-8H3/b26-25-.
What are the key properties of (Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene?
(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene has a molecular weight of 396.65 g/mol, XLogP of 9.45, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene is sourced from PubChem (CID 143777022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).