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

C17H28F6O2 — CID 90238939

IUPAC(Z)-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-ZROIWOOFSA-N
MW378.40 g/mol
LogP6.41
Rot. Bonds11

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

(Z)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene (PubChem CID 90238939) has the molecular formula C17H28F6O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is (Z)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene.

Molecular Properties

Compound Name(Z)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene
PubChem CID90238939
Molecular FormulaC17H28F6O2
Molecular Weight378.40 g/mol
Exact Mass378.20
IUPAC Name(Z)-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-ZROIWOOFSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene?
The IUPAC name of (Z)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene (CID 90238939) is (Z)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene.
What is the SMILES notation for (Z)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene?
The canonical SMILES for (Z)-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 (Z)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene?
The InChIKey is CQTNEUQSGKLZQC-ZROIWOOFSA-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 (Z)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene?
(Z)-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 (Z)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene is sourced from PubChem (CID 90238939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).