2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane

C24H36F6O3 — CID 23405349

IUPAC2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane
SMILESCCCC(CC)OC12CC3CC(C1)CC(C(OC1CCCCO1)(C(F)(F)F)C(F)(F)F)(C3)C2
InChIInChI=1S/C24H36F6O3/c1-3-7-18(4-2)32-21-13-16-10-17(14-21)12-20(11-16,15-21)22(23(25,26)27,24(28,29)30)33-19-8-5-6-9-31-19/h16-19H,3-15H2,1-2H3
InChIKeyZKTOXFXFSRLDIC-UHFFFAOYSA-N
MW486.54 g/mol
LogP7.33
Rot. Bonds8

About 2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane

2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane (PubChem CID 23405349) has the molecular formula C24H36F6O3 and a molecular weight of 486.54 g/mol. Its IUPAC name is 2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane
PubChem CID23405349
Molecular FormulaC24H36F6O3
Molecular Weight486.54 g/mol
Exact Mass486.26
IUPAC Name2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane
SMILESCCCC(CC)OC12CC3CC(C1)CC(C(OC1CCCCO1)(C(F)(F)F)C(F)(F)F)(C3)C2
InChIInChI=1S/C24H36F6O3/c1-3-7-18(4-2)32-21-13-16-10-17(14-21)12-20(11-16,15-21)22(23(25,26)27,24(28,29)30)33-19-8-5-6-9-31-19/h16-19H,3-15H2,1-2H3
InChIKeyZKTOXFXFSRLDIC-UHFFFAOYSA-N
XLogP7.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane with MolForge

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

Launch Full Analysis

Related Compounds

1-Butan-2-yloxy-3-[2-(cyclohexylmethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]adamantane
CID 21020800
1-[2-(1-Ethoxyethoxy)-1,1,1,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptan-2-yl]-3-hexan-3-yladamantane
CID 23405307
1-[2-(Ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-(2-methoxybutan-2-yl)adamantane
CID 23405322
2-[2-[3-(3-Bromohexan-3-yl)-1-adamantyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
CID 23405347
2-[2-(3-Ethenoxy-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
CID 23405350
2-[3,6-Dimethyl-6-[3-[1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4-(oxan-2-yloxy)heptan-4-yl]-1-adamantyl]heptan-3-yl]-7-methyl-7-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)oxepane
CID 23405353
2-[3-[2-(Ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-adamantyl]oxirane
CID 23405396
4-[3-[1,1,1,3,3,3-Hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-1-adamantyl]-2,4-dimethylhexanenitrile
CID 23405407
4-[3-[1,1,1,3,3,3-Hexafluoro-2-(oxan-2-yloxy)propan-2-yl]-1-adamantyl]-2-methylhexanenitrile
CID 23405432
1-[1,1,1,3,3,4,4,5,5,6,6,6-Dodecafluoro-2-(1-propoxyethoxy)hexan-2-yl]-3-hexan-3-yladamantane
CID 23405436
1-[1,1,1,2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,11,11,11-Docosafluoro-6-(1-methoxyethoxy)undecan-6-yl]-3-hexan-3-yladamantane
CID 23405521
5-(1,1,2,2,3,3,3-Heptafluoropropyl)-1-[6-[3-[1,1,1,3,3,3-hexafluoro-2-(2-fluorooxan-2-yl)oxypropan-2-yl]-1-adamantyl]-3,6-dimethylheptan-3-yl]-3,5-dimethyl-4-oxatricyclo[4.3.1.13,8]undecane
CID 23405549

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane?
The IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane (CID 23405349) is 2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane.
What is the SMILES notation for 2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane?
The canonical SMILES for 2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane is CCCC(CC)OC12CC3CC(C1)CC(C(OC1CCCCO1)(C(F)(F)F)C(F)(F)F)(C3)C2.
What is the InChIKey of 2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane?
The InChIKey is ZKTOXFXFSRLDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F6O3/c1-3-7-18(4-2)32-21-13-16-10-17(14-21)12-20(11-16,15-21)22(23(25,26)27,24(28,29)30)33-19-8-5-6-9-31-19/h16-19H,3-15H2,1-2H3.
What are the key properties of 2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane?
2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane has a molecular weight of 486.54 g/mol, XLogP of 7.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,3,3,3-hexafluoro-2-(3-hexan-3-yloxy-1-adamantyl)propan-2-yl]oxyoxane is sourced from PubChem (CID 23405349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).