(2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane

C14H28O — CID 174180637

IUPAC(2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane
SMILESC[C@@H]1OCC(CC(C)(C)C)[C@@H]1C(C)(C)C
InChIInChI=1S/C14H28O/c1-10-12(14(5,6)7)11(9-15-10)8-13(2,3)4/h10-12H,8-9H2,1-7H3/t10-,11?,12+/m0/s1
InChIKeyLEHZHEFXKLPVOF-ASKATJPDSA-N
MW212.38 g/mol
LogP4.12
Rot. Bonds1

About (2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane

(2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane (PubChem CID 174180637) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane.

Molecular Properties

Compound Name(2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane
PubChem CID174180637
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane
SMILESC[C@@H]1OCC(CC(C)(C)C)[C@@H]1C(C)(C)C
InChIInChI=1S/C14H28O/c1-10-12(14(5,6)7)11(9-15-10)8-13(2,3)4/h10-12H,8-9H2,1-7H3/t10-,11?,12+/m0/s1
InChIKeyLEHZHEFXKLPVOF-ASKATJPDSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane?
The IUPAC name of (2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane (CID 174180637) is (2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane.
What is the SMILES notation for (2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane?
The canonical SMILES for (2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane is C[C@@H]1OCC(CC(C)(C)C)[C@@H]1C(C)(C)C.
What is the InChIKey of (2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane?
The InChIKey is LEHZHEFXKLPVOF-ASKATJPDSA-N. The full InChI is InChI=1S/C14H28O/c1-10-12(14(5,6)7)11(9-15-10)8-13(2,3)4/h10-12H,8-9H2,1-7H3/t10-,11?,12+/m0/s1.
What are the key properties of (2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane?
(2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane has a molecular weight of 212.38 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-tert-butyl-4-(2,2-dimethylpropyl)-2-methyloxolane is sourced from PubChem (CID 174180637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).