(5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene

C22H36F6O2 — CID 90238479

IUPAC(5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
SMILESC/C(=C/CCC(C)(OCC(F)(F)F)OCC(F)(F)F)CC/C=C(/C)CCCC(C)C
InChIInChI=1S/C22H36F6O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,29-15-21(23,24)25)30-16-22(26,27)28/h11,13,17H,6-10,12,14-16H2,1-5H3/b18-11-,19-13-
InChIKeyMQROPOHGGZQKRF-DZXMZRKESA-N
MW446.52 g/mol
LogP8.14
Rot. Bonds14

About (5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene

(5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene (PubChem CID 90238479) has the molecular formula C22H36F6O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is (5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene.

Molecular Properties

Compound Name(5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
PubChem CID90238479
Molecular FormulaC22H36F6O2
Molecular Weight446.52 g/mol
Exact Mass446.26
IUPAC Name(5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene
SMILESC/C(=C/CCC(C)(OCC(F)(F)F)OCC(F)(F)F)CC/C=C(/C)CCCC(C)C
InChIInChI=1S/C22H36F6O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,29-15-21(23,24)25)30-16-22(26,27)28/h11,13,17H,6-10,12,14-16H2,1-5H3/b18-11-,19-13-
InChIKeyMQROPOHGGZQKRF-DZXMZRKESA-N
XLogP8.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 58.14
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

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
(E)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undec-5-ene
CID 140695976
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
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181

Frequently Asked Questions

What is the IUPAC name of (5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene?
The IUPAC name of (5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene (CID 90238479) is (5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene.
What is the SMILES notation for (5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene?
The canonical SMILES for (5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene is C/C(=C/CCC(C)(OCC(F)(F)F)OCC(F)(F)F)CC/C=C(/C)CCCC(C)C.
What is the InChIKey of (5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene?
The InChIKey is MQROPOHGGZQKRF-DZXMZRKESA-N. The full InChI is InChI=1S/C22H36F6O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,29-15-21(23,24)25)30-16-22(26,27)28/h11,13,17H,6-10,12,14-16H2,1-5H3/b18-11-,19-13-.
What are the key properties of (5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene?
(5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene has a molecular weight of 446.52 g/mol, XLogP of 8.14, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,9Z)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadeca-5,9-diene is sourced from PubChem (CID 90238479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).