(E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane

C41H79F2NO3S — CID 159475679

IUPAC(E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CC(C)/C=C/C(F)(F)COC(C)C.CC(C)NS(=O)(=O)C1CC1.CC(C)c1cccc(C(C)C)c1.CCC(C)C
InChIInChI=1S/C12H18.C10H18F2O.C8H18.C6H13NO2S.C5H12/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)5-6-10(11,12)7-13-9(3)4;1-7(2,3)8(4,5)6;1-5(2)7-10(8,9)6-3-4-6;1-4-5(2)3/h5-10H,1-4H3;5-6,8-9H,7H2,1-4H3;1-6H3;5-7H,3-4H2,1-2H3;5H,4H2,1-3H3/b;6-5+;;;
InChIKeyLWISVCWXDIXNFE-BVUYPTAJSA-N
MW704.15 g/mol
LogP12.80
Rot. Bonds11

About (E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane

(E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane (PubChem CID 159475679) has the molecular formula C41H79F2NO3S and a molecular weight of 704.15 g/mol. Its IUPAC name is (E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Name(E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane
PubChem CID159475679
Molecular FormulaC41H79F2NO3S
Molecular Weight704.15 g/mol
Exact Mass703.57
IUPAC Name(E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CC(C)/C=C/C(F)(F)COC(C)C.CC(C)NS(=O)(=O)C1CC1.CC(C)c1cccc(C(C)C)c1.CCC(C)C
InChIInChI=1S/C12H18.C10H18F2O.C8H18.C6H13NO2S.C5H12/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)5-6-10(11,12)7-13-9(3)4;1-7(2,3)8(4,5)6;1-5(2)7-10(8,9)6-3-4-6;1-4-5(2)3/h5-10H,1-4H3;5-6,8-9H,7H2,1-4H3;1-6H3;5-7H,3-4H2,1-2H3;5H,4H2,1-3H3/b;6-5+;;;
InChIKeyLWISVCWXDIXNFE-BVUYPTAJSA-N
XLogP12.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.15
LogP ≤ 512.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane?
The IUPAC name of (E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane (CID 159475679) is (E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane.
What is the SMILES notation for (E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane?
The canonical SMILES for (E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane is CC(C)(C)C(C)(C)C.CC(C)/C=C/C(F)(F)COC(C)C.CC(C)NS(=O)(=O)C1CC1.CC(C)c1cccc(C(C)C)c1.CCC(C)C.
What is the InChIKey of (E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane?
The InChIKey is LWISVCWXDIXNFE-BVUYPTAJSA-N. The full InChI is InChI=1S/C12H18.C10H18F2O.C8H18.C6H13NO2S.C5H12/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)5-6-10(11,12)7-13-9(3)4;1-7(2,3)8(4,5)6;1-5(2)7-10(8,9)6-3-4-6;1-4-5(2)3/h5-10H,1-4H3;5-6,8-9H,7H2,1-4H3;1-6H3;5-7H,3-4H2,1-2H3;5H,4H2,1-3H3/b;6-5+;;;.
What are the key properties of (E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane?
(E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane has a molecular weight of 704.15 g/mol, XLogP of 12.80, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-5-methyl-1-propan-2-yloxyhex-3-ene;1,3-di(propan-2-yl)benzene;2-methylbutane;N-propan-2-ylcyclopropanesulfonamide;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 159475679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).