10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane

C24H44F6O2 — CID 135266792

IUPAC10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane
SMILESCC(C)CCCC(C)CCCC(CCCC(C)(OCC(F)(F)F)OCC(F)(F)F)C(C)C
InChIInChI=1S/C24H44F6O2/c1-18(2)10-7-11-20(5)12-8-13-21(19(3)4)14-9-15-22(6,31-16-23(25,26)27)32-17-24(28,29)30/h18-21H,7-17H2,1-6H3
InChIKeyZCGIUHCTFSCVSL-UHFFFAOYSA-N
MW478.60 g/mol
LogP8.94
Rot. Bonds17

About 10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane

10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane (PubChem CID 135266792) has the molecular formula C24H44F6O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane.

Molecular Properties

Compound Name10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane
PubChem CID135266792
Molecular FormulaC24H44F6O2
Molecular Weight478.60 g/mol
Exact Mass478.32
IUPAC Name10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane
SMILESCC(C)CCCC(C)CCCC(CCCC(C)(OCC(F)(F)F)OCC(F)(F)F)C(C)C
InChIInChI=1S/C24H44F6O2/c1-18(2)10-7-11-20(5)12-8-13-21(19(3)4)14-9-15-22(6,31-16-23(25,26)27)32-17-24(28,29)30/h18-21H,7-17H2,1-6H3
InChIKeyZCGIUHCTFSCVSL-UHFFFAOYSA-N
XLogP8.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Diethyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-dioxane
CID 10152191
(6R)-6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
CID 90239071
(6R,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane
CID 90239969
1-[2-(Cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)cyclohexane
CID 20743891
1-Butan-2-yl-4-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 20743893
4,6-Bis(ethoxymethoxy)-5,5-difluoro-3,7-dimethyl-4,6-bis(trifluoromethyl)nonane
CID 57603588
1-Butan-2-yl-3-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58823492
1-Butan-2-yl-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58823661
5-Ethoxy-5-ethyl-2-fluoro-3-methyl-2-(1,1,1-trifluoropropan-2-yl)oxolane
CID 59010327
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-propan-2-yl-10-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-propan-2-ylundecan-2-yl)oxyundecane
CID 87932262
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-9-[[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-(4-methylpentan-2-yl)decoxy]methyl]-10,12-dimethyltridecane
CID 88259070
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8,10-dimethyl-7-[[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-(4-methylpentan-2-yl)octoxy]methyl]undecane
CID 88260639

Frequently Asked Questions

What is the IUPAC name of 10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane?
The IUPAC name of 10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane (CID 135266792) is 10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane.
What is the SMILES notation for 10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane?
The canonical SMILES for 10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane is CC(C)CCCC(C)CCCC(CCCC(C)(OCC(F)(F)F)OCC(F)(F)F)C(C)C.
What is the InChIKey of 10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane?
The InChIKey is ZCGIUHCTFSCVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44F6O2/c1-18(2)10-7-11-20(5)12-8-13-21(19(3)4)14-9-15-22(6,31-16-23(25,26)27)32-17-24(28,29)30/h18-21H,7-17H2,1-6H3.
What are the key properties of 10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane?
10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane has a molecular weight of 478.60 g/mol, XLogP of 8.94, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14-dimethyl-6-propan-2-yl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane is sourced from PubChem (CID 135266792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).