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

C16H27NO6 — CID 59781998

IUPAC(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)O[C@H](C2COC(C)(C)O2)[C@H]1C1COC(C)(C)O1
InChIInChI=1S/C16H27NO6/c1-9(2)17-12(10-7-19-15(3,4)22-10)13(21-14(17)18)11-8-20-16(5,6)23-11/h9-13H,7-8H2,1-6H3/t10?,11?,12-,13-/m1/s1
InChIKeyHSCDWADWQUVFPT-FIYWTHMPSA-N
MW329.39 g/mol
LogP1.89
Rot. Bonds3

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

(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 59781998) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID59781998
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Name(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)O[C@H](C2COC(C)(C)O2)[C@H]1C1COC(C)(C)O1
InChIInChI=1S/C16H27NO6/c1-9(2)17-12(10-7-19-15(3,4)22-10)13(21-14(17)18)11-8-20-16(5,6)23-11/h9-13H,7-8H2,1-6H3/t10?,11?,12-,13-/m1/s1
InChIKeyHSCDWADWQUVFPT-FIYWTHMPSA-N
XLogP1.89
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.89
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-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-propan-2-yl-1,3-oxazolidin-2-one (CID 59781998) is (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1C(=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-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HSCDWADWQUVFPT-FIYWTHMPSA-N. The full InChI is InChI=1S/C16H27NO6/c1-9(2)17-12(10-7-19-15(3,4)22-10)13(21-14(17)18)11-8-20-16(5,6)23-11/h9-13H,7-8H2,1-6H3/t10?,11?,12-,13-/m1/s1.
What are the key properties of (4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-propan-2-yl-1,3-oxazolidin-2-one?
(4R,5S)-4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 329.39 g/mol, XLogP of 1.89, 3 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-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59781998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).