4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane

C19H35F3O2 — CID 58205810

IUPAC4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane
SMILESCCC(C)CC(C)(OCOC1CC(C)CCC1C(C)C)C(F)(F)F
InChIInChI=1S/C19H35F3O2/c1-7-14(4)11-18(6,19(20,21)22)24-12-23-17-10-15(5)8-9-16(17)13(2)3/h13-17H,7-12H2,1-6H3
InChIKeyYASXUVWQEYTMGL-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.20
Rot. Bonds8

About 4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane

4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane (PubChem CID 58205810) has the molecular formula C19H35F3O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane
PubChem CID58205810
Molecular FormulaC19H35F3O2
Molecular Weight352.48 g/mol
Exact Mass352.26
IUPAC Name4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane
SMILESCCC(C)CC(C)(OCOC1CC(C)CCC1C(C)C)C(F)(F)F
InChIInChI=1S/C19H35F3O2/c1-7-14(4)11-18(6,19(20,21)22)24-12-23-17-10-15(5)8-9-16(17)13(2)3/h13-17H,7-12H2,1-6H3
InChIKeyYASXUVWQEYTMGL-UHFFFAOYSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.20
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

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
2-[(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxymethoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 57806665
1,5-Diethyl-1-fluoro-3-methyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethoxy]cyclohexane
CID 58205836
2-[(3,4-Diethyl-3-fluoro-1-methylcyclopentyl)oxymethoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 58205853
1-(1,1-Difluoroethyl)-3-(ethoxymethoxy)-5-ethyl-1,2,2-trifluoro-3-(trifluoromethyl)cyclohexane
CID 58587389
1-(1,1-Difluoroethyl)-3-(ethoxymethoxy)-1,2,2-trifluoro-5-methyl-3-(trifluoromethyl)cyclohexane
CID 58721427
1-[(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane
CID 58761418
4-Methyl-1-propan-2-yl-2-[[3,6,6-trifluoro-5-(trifluoromethyl)nonan-5-yl]oxymethoxy]cyclohexane
CID 58761453
4-Methyl-1-propan-2-yl-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]oxymethoxy]cyclohexane
CID 58761463
1-[2-(2-Butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
CID 58781678
1-Butan-2-yl-3-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58823492

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane?
The IUPAC name of 4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane (CID 58205810) is 4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane.
What is the SMILES notation for 4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane?
The canonical SMILES for 4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane is CCC(C)CC(C)(OCOC1CC(C)CCC1C(C)C)C(F)(F)F.
What is the InChIKey of 4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane?
The InChIKey is YASXUVWQEYTMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F3O2/c1-7-14(4)11-18(6,19(20,21)22)24-12-23-17-10-15(5)8-9-16(17)13(2)3/h13-17H,7-12H2,1-6H3.
What are the key properties of 4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane?
4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane has a molecular weight of 352.48 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-2-[(1,1,1-trifluoro-2,4-dimethylhexan-2-yl)oxymethoxy]cyclohexane is sourced from PubChem (CID 58205810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).