1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone

C9H17NO2 — CID 58307516

IUPAC1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone
SMILESCC(=O)N1C(C)OC(C)(C)[C@@H]1C
InChIInChI=1S/C9H17NO2/c1-6-9(4,5)12-8(3)10(6)7(2)11/h6,8H,1-5H3/t6-,8?/m0/s1
InChIKeyKXTQCPWNFQLENK-UUEFVBAFSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds

About 1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone

1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone (PubChem CID 58307516) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone
PubChem CID58307516
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone
SMILESCC(=O)N1C(C)OC(C)(C)[C@@H]1C
InChIInChI=1S/C9H17NO2/c1-6-9(4,5)12-8(3)10(6)7(2)11/h6,8H,1-5H3/t6-,8?/m0/s1
InChIKeyKXTQCPWNFQLENK-UUEFVBAFSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone?
The IUPAC name of 1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone (CID 58307516) is 1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone?
The canonical SMILES for 1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone is CC(=O)N1C(C)OC(C)(C)[C@@H]1C.
What is the InChIKey of 1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone?
The InChIKey is KXTQCPWNFQLENK-UUEFVBAFSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-9(4,5)12-8(3)10(6)7(2)11/h6,8H,1-5H3/t6-,8?/m0/s1.
What are the key properties of 1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone?
1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone has a molecular weight of 171.24 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone is sourced from PubChem (CID 58307516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).