(3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene

C19H31F3O — CID 144799125

IUPAC(3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C(C)CCCC)OC(F)(F)F
InChIInChI=1S/C19H31F3O/c1-7-8-9-14(2)15(3)10-11-16(4)17(5)12-13-18(6)23-19(20,21)22/h12-16H,5-11H2,1-4H3/b13-12-
InChIKeyZBHUFITYNCOHTB-SEYXRHQNSA-N
MW332.45 g/mol
LogP7.03
Rot. Bonds11

About (3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene

(3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene (PubChem CID 144799125) has the molecular formula C19H31F3O and a molecular weight of 332.45 g/mol. Its IUPAC name is (3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene.

Molecular Properties

Compound Name(3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene
PubChem CID144799125
Molecular FormulaC19H31F3O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name(3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C(C)CCCC)OC(F)(F)F
InChIInChI=1S/C19H31F3O/c1-7-8-9-14(2)15(3)10-11-16(4)17(5)12-13-18(6)23-19(20,21)22/h12-16H,5-11H2,1-4H3/b13-12-
InChIKeyZBHUFITYNCOHTB-SEYXRHQNSA-N
XLogP7.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-2-(difluoromethoxy)-5-ethylidene-7-methylnona-1,3-diene
CID 88267604
(3E,11Z,15Z)-4,11,12-trifluoro-2-methoxy-6,9-dimethyl-5,10,13,14,17-pentamethylidenenonadeca-1,3,11,15-tetraene
CID 88953273
1-[(2E,4E,6E)-6-fluoro-5-(trifluoromethoxy)octa-2,4,6-trien-2-yl]-4-(4-methylcyclohexyl)cyclohexane
CID 89202331
(5S)-3-[(2S,3E)-5-[(1R,4R)-4-[(3Z,5S)-5-ethylocta-1,3-dien-2-yl]-2-fluorocyclohex-2-en-1-yl]-1,1,3-trifluoro-2-(1-fluoroethyl)hexa-3,5-dienoxy]-1,5-difluoro-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 90392783
4-(2,2-Difluoroethoxy)-1-hexan-2-ylcyclohepta-1,3,5-triene
CID 91198045
2-(Fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene
CID 91288012
4-(2,2-Difluoroethoxy)-1-(3-methylhexan-2-yl)cyclohepta-1,3,5-triene
CID 91552862
1-Fluoro-7-methyl-5-[3-methyl-4-(4-propylcyclohexyl)hepta-2,4-dienyl]-2-(trifluoromethoxy)cyclohepta-1,3,5-triene
CID 123947876
1-[(3E,5Z)-4,6-difluoro-5-(1,1,3,3-tetrafluoroprop-2-enoxy)hexa-1,3,5-trien-2-yl]-4-propylcyclohexane
CID 126627031
(1Z,3E,5E,7E,9E)-11-butyl-10-ethenyl-3-ethoxy-1,2-difluoro-14-methylpentadeca-1,3,5,7,9-pentaene
CID 126727542
1-ethyl-4-[4-[(2Z,4E)-4-(trifluoromethoxy)hexa-2,4-dienyl]cyclohexyl]cyclohexane
CID 129130662
1-butyl-4-[4-[(4Z,6E)-6-(trifluoromethoxy)octa-4,6-dien-3-yl]cyclohexyl]cyclohexane
CID 134173885

Frequently Asked Questions

What is the IUPAC name of (3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene?
The IUPAC name of (3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene (CID 144799125) is (3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene.
What is the SMILES notation for (3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene?
The canonical SMILES for (3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene is C=C(/C=C\C(=C)C(C)CCC(C)C(C)CCCC)OC(F)(F)F.
What is the InChIKey of (3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene?
The InChIKey is ZBHUFITYNCOHTB-SEYXRHQNSA-N. The full InChI is InChI=1S/C19H31F3O/c1-7-8-9-14(2)15(3)10-11-16(4)17(5)12-13-18(6)23-19(20,21)22/h12-16H,5-11H2,1-4H3/b13-12-.
What are the key properties of (3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene?
(3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene has a molecular weight of 332.45 g/mol, XLogP of 7.03, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6,9,10-trimethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene is sourced from PubChem (CID 144799125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).