(5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane

C17H32O2 — CID 167295439

IUPAC(5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane
SMILESCC(C)(C)C[C@H]1COC(CC(C)(C)CC2CC2)CO1
InChIInChI=1S/C17H32O2/c1-16(2,3)9-14-11-19-15(12-18-14)10-17(4,5)8-13-6-7-13/h13-15H,6-12H2,1-5H3/t14-,15?/m0/s1
InChIKeySGMOLMHASSODOL-MLCCFXAWSA-N
MW268.44 g/mol
LogP4.42
Rot. Bonds5

About (5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane

(5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane (PubChem CID 167295439) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane.

Molecular Properties

Compound Name(5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane
PubChem CID167295439
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane
SMILESCC(C)(C)C[C@H]1COC(CC(C)(C)CC2CC2)CO1
InChIInChI=1S/C17H32O2/c1-16(2,3)9-14-11-19-15(12-18-14)10-17(4,5)8-13-6-7-13/h13-15H,6-12H2,1-5H3/t14-,15?/m0/s1
InChIKeySGMOLMHASSODOL-MLCCFXAWSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane?
The IUPAC name of (5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane (CID 167295439) is (5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane.
What is the SMILES notation for (5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane?
The canonical SMILES for (5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane is CC(C)(C)C[C@H]1COC(CC(C)(C)CC2CC2)CO1.
What is the InChIKey of (5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane?
The InChIKey is SGMOLMHASSODOL-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H32O2/c1-16(2,3)9-14-11-19-15(12-18-14)10-17(4,5)8-13-6-7-13/h13-15H,6-12H2,1-5H3/t14-,15?/m0/s1.
What are the key properties of (5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane?
(5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane has a molecular weight of 268.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane is sourced from PubChem (CID 167295439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).