(5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine

C9H15NO — CID 154932310

IUPAC(5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine
SMILESC#C[C@@]1(C)OCN(C)C1(C)C
InChIInChI=1S/C9H15NO/c1-6-9(4)8(2,3)10(5)7-11-9/h1H,7H2,2-5H3/t9-/m1/s1
InChIKeyUUCMGTDTKBGGEY-SECBINFHSA-N
MW153.22 g/mol
LogP1.08
Rot. Bonds

About (5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine

(5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine (PubChem CID 154932310) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine
PubChem CID154932310
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine
SMILESC#C[C@@]1(C)OCN(C)C1(C)C
InChIInChI=1S/C9H15NO/c1-6-9(4)8(2,3)10(5)7-11-9/h1H,7H2,2-5H3/t9-/m1/s1
InChIKeyUUCMGTDTKBGGEY-SECBINFHSA-N
XLogP1.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,4,5,5-Pentamethyl-1,3-oxazolidine
CID 152805091

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine?
The IUPAC name of (5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine (CID 154932310) is (5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine.
What is the SMILES notation for (5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine?
The canonical SMILES for (5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine is C#C[C@@]1(C)OCN(C)C1(C)C.
What is the InChIKey of (5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine?
The InChIKey is UUCMGTDTKBGGEY-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-9(4)8(2,3)10(5)7-11-9/h1H,7H2,2-5H3/t9-/m1/s1.
What are the key properties of (5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine?
(5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine has a molecular weight of 153.22 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethynyl-3,4,4,5-tetramethyl-1,3-oxazolidine is sourced from PubChem (CID 154932310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).