(3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine

C10H21NO — CID 10176318

IUPAC(3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine
SMILESCC(C)(C)C[C@H]1CC(C)(C)ON1
InChIInChI=1S/C10H21NO/c1-9(2,3)6-8-7-10(4,5)12-11-8/h8,11H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyYNLPBPKDJAUYLD-QMMMGPOBSA-N
MW171.28 g/mol
LogP2.49
Rot. Bonds1

About (3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine

(3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine (PubChem CID 10176318) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine
PubChem CID10176318
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine
SMILESCC(C)(C)C[C@H]1CC(C)(C)ON1
InChIInChI=1S/C10H21NO/c1-9(2,3)6-8-7-10(4,5)12-11-8/h8,11H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyYNLPBPKDJAUYLD-QMMMGPOBSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine?
The IUPAC name of (3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine (CID 10176318) is (3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine.
What is the SMILES notation for (3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine?
The canonical SMILES for (3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine is CC(C)(C)C[C@H]1CC(C)(C)ON1.
What is the InChIKey of (3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine?
The InChIKey is YNLPBPKDJAUYLD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,3)6-8-7-10(4,5)12-11-8/h8,11H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine?
(3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine has a molecular weight of 171.28 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,2-dimethylpropyl)-5,5-dimethyl-1,2-oxazolidine is sourced from PubChem (CID 10176318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).