lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one

C8H14LiNO2 — CID 138977832

IUPAClithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one
SMILESCC(C)[C@@H]1[N-]C(=O)OC1(C)C.[Li+]
InChIInChI=1S/C8H15NO2.Li/c1-5(2)6-8(3,4)11-7(10)9-6;/h5-6H,1-4H3,(H,9,10);/q;+1/p-1/t6-;/m0./s1
InChIKeyJBLVKZXFLWZMTP-RGMNGODLSA-M
MW163.15 g/mol
LogP-0.68
Rot. Bonds1

About lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one

lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one (PubChem CID 138977832) has the molecular formula C8H14LiNO2 and a molecular weight of 163.15 g/mol. Its IUPAC name is lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one.

Molecular Properties

Compound Namelithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one
PubChem CID138977832
Molecular FormulaC8H14LiNO2
Molecular Weight163.15 g/mol
Exact Mass163.12
IUPAC Namelithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one
SMILESCC(C)[C@@H]1[N-]C(=O)OC1(C)C.[Li+]
InChIInChI=1S/C8H15NO2.Li/c1-5(2)6-8(3,4)11-7(10)9-6;/h5-6H,1-4H3,(H,9,10);/q;+1/p-1/t6-;/m0./s1
InChIKeyJBLVKZXFLWZMTP-RGMNGODLSA-M
XLogP-0.68
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

(S)-4-Isopropyl-5,5-dimethyl-2-oxazolidinone
CID 11105613
(R)-(+)-4-Isopropyl-5,5-dimethyl-2-oxazolidinone
CID 10583042
4-Isopropyl-5,5-dimethyl-oxazolidin-2-one
CID 3612687
lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one
CID 10261139
(4S)-3,5,5-trimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58967527
(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15854120
(4S)-3-acetyl-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134968267
lithium (4R)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one
CID 10866381
3,5-Dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 20706130
5,5-Dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 21604388
(4R)-3,5,5-trimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58484552
(4S)-5,5-dimethyl-3,4-di(propan-2-yl)-1,3-oxazolidin-2-one
CID 60119411

Frequently Asked Questions

What is the IUPAC name of lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one?
The IUPAC name of lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one (CID 138977832) is lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one.
What is the SMILES notation for lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one?
The canonical SMILES for lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one is CC(C)[C@@H]1[N-]C(=O)OC1(C)C.[Li+].
What is the InChIKey of lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one?
The InChIKey is JBLVKZXFLWZMTP-RGMNGODLSA-M. The full InChI is InChI=1S/C8H15NO2.Li/c1-5(2)6-8(3,4)11-7(10)9-6;/h5-6H,1-4H3,(H,9,10);/q;+1/p-1/t6-;/m0./s1.
What are the key properties of lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one?
lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one has a molecular weight of 163.15 g/mol, XLogP of -0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4S)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-3-id-2-one is sourced from PubChem (CID 138977832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).