(E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene

C17H28F6O2 — CID 140695976

IUPAC(E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene
SMILESC/C(=C\CCC(C)(OCC(F)(F)F)OCC(F)(F)F)CCCC(C)C
InChIInChI=1S/C17H28F6O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,24-11-16(18,19)20)25-12-17(21,22)23/h9,13H,5-8,10-12H2,1-4H3/b14-9+
InChIKeyCQTNEUQSGKLZQC-NTEUORMPSA-N
MW378.40 g/mol
LogP6.41
Rot. Bonds11

About (E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene

(E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene (PubChem CID 140695976) has the molecular formula C17H28F6O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is (E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene.

Molecular Properties

Compound Name(E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene
PubChem CID140695976
Molecular FormulaC17H28F6O2
Molecular Weight378.40 g/mol
Exact Mass378.20
IUPAC Name(E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene
SMILESC/C(=C\CCC(C)(OCC(F)(F)F)OCC(F)(F)F)CCCC(C)C
InChIInChI=1S/C17H28F6O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,24-11-16(18,19)20)25-12-17(21,22)23/h9,13H,5-8,10-12H2,1-4H3/b14-9+
InChIKeyCQTNEUQSGKLZQC-NTEUORMPSA-N
XLogP6.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.40
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 90238479
6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 140695963
(5E,9E)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
CID 90238470
2-ethoxy-6,10,14-trimethyl-2-(2,2,2-trifluoroethoxy)pentadec-5-ene
CID 162292188
(E)-2,2-dimethoxy-6,10-dimethylundec-5-ene
CID 23352870
2,2-diethoxy-6,10,14-trimethylpentadec-5-ene
CID 150121386
2,6,10-trimethyl-14,14-bis(4-methylpentoxy)pentadeca-2,6,10-triene
CID 140780753
6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
CID 144649241
[(E)-2-hydroperoxy-6,10-dimethylundec-5-en-2-yl] nitrite
CID 163709313
magnesium;3,7,11-trimethyldodeca-2,6-diene;dichloride
CID 174246815
(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene
CID 90239470
(E)-2,6,10-trimethylpentadec-9-en-6-ol
CID 129151559

Frequently Asked Questions

What is the IUPAC name of (E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene?
The IUPAC name of (E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene (CID 140695976) is (E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene.
What is the SMILES notation for (E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene?
The canonical SMILES for (E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene is C/C(=C\CCC(C)(OCC(F)(F)F)OCC(F)(F)F)CCCC(C)C.
What is the InChIKey of (E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene?
The InChIKey is CQTNEUQSGKLZQC-NTEUORMPSA-N. The full InChI is InChI=1S/C17H28F6O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,24-11-16(18,19)20)25-12-17(21,22)23/h9,13H,5-8,10-12H2,1-4H3/b14-9+.
What are the key properties of (E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene?
(E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene has a molecular weight of 378.40 g/mol, XLogP of 6.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene is sourced from PubChem (CID 140695976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).