(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane

C16H29NO6 — CID 143671687

IUPAC(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane
SMILESCC.CN1C(=O)O[C@H](C2COC(C)(C)O2)[C@H]1C1COC(C)(C)O1
InChIInChI=1S/C14H23NO6.C2H6/c1-13(2)17-6-8(20-13)10-11(19-12(16)15(10)5)9-7-18-14(3,4)21-9;1-2/h8-11H,6-7H2,1-5H3;1-2H3/t8?,9?,10-,11-;/m1./s1
InChIKeyJPEODAQGFDUQCJ-GFFWJRRDSA-N
MW331.41 g/mol
LogP2.13
Rot. Bonds2

About (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane

(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane (PubChem CID 143671687) has the molecular formula C16H29NO6 and a molecular weight of 331.41 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane
PubChem CID143671687
Molecular FormulaC16H29NO6
Molecular Weight331.41 g/mol
Exact Mass331.20
IUPAC Name(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane
SMILESCC.CN1C(=O)O[C@H](C2COC(C)(C)O2)[C@H]1C1COC(C)(C)O1
InChIInChI=1S/C14H23NO6.C2H6/c1-13(2)17-6-8(20-13)10-11(19-12(16)15(10)5)9-7-18-14(3,4)21-9;1-2/h8-11H,6-7H2,1-5H3;1-2H3/t8?,9?,10-,11-;/m1./s1
InChIKeyJPEODAQGFDUQCJ-GFFWJRRDSA-N
XLogP2.13
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane?
The IUPAC name of (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane (CID 143671687) is (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane is CC.CN1C(=O)O[C@H](C2COC(C)(C)O2)[C@H]1C1COC(C)(C)O1.
What is the InChIKey of (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane?
The InChIKey is JPEODAQGFDUQCJ-GFFWJRRDSA-N. The full InChI is InChI=1S/C14H23NO6.C2H6/c1-13(2)17-6-8(20-13)10-11(19-12(16)15(10)5)9-7-18-14(3,4)21-9;1-2/h8-11H,6-7H2,1-5H3;1-2H3/t8?,9?,10-,11-;/m1./s1.
What are the key properties of (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane?
(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane has a molecular weight of 331.41 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methyl-1,3-oxazolidin-2-one;ethane is sourced from PubChem (CID 143671687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).