(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one

C14H25NO6Si — CID 58766075

IUPAC(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C2OCO[C@@H]2CO[C@]12CNC(=O)O2
InChIInChI=1S/C14H25NO6Si/c1-13(2,3)22(4,5)21-11-10-9(17-8-18-10)6-19-14(11)7-15-12(16)20-14/h9-11H,6-8H2,1-5H3,(H,15,16)/t9-,10?,11+,14+/m1/s1
InChIKeyYQULVMLVZFGNIL-INCBPPMDSA-N
MW331.44 g/mol
LogP1.58
Rot. Bonds2

About (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one

(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one (PubChem CID 58766075) has the molecular formula C14H25NO6Si and a molecular weight of 331.44 g/mol. Its IUPAC name is (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one.

Molecular Properties

Compound Name(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
PubChem CID58766075
Molecular FormulaC14H25NO6Si
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C2OCO[C@@H]2CO[C@]12CNC(=O)O2
InChIInChI=1S/C14H25NO6Si/c1-13(2,3)22(4,5)21-11-10-9(17-8-18-10)6-19-14(11)7-15-12(16)20-14/h9-11H,6-8H2,1-5H3,(H,15,16)/t9-,10?,11+,14+/m1/s1
InChIKeyYQULVMLVZFGNIL-INCBPPMDSA-N
XLogP1.58
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3aR,4R,6S,6aR)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]formamide
CID 23240035
N-[(3aR,4S,6S,6aR)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]formamide
CID 23240036
(5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one
CID 11823345
tert-butyl (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 58766035
(3'aR,4S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-3H-pyrano[3,4-d][1,3]oxazole]-2'-one
CID 58766040
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766055
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2'-sulfanylidenespiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766058
(3'aR,4S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2,2,3'-trimethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole]-2'-one
CID 58766067
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-diethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766081
tert-butyl (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2',2'-diethyl-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 58766091
tert-butyl N-[[6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 173997344
tert-butyl N-[[(3aR,4R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 173997377

Frequently Asked Questions

What is the IUPAC name of (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one?
The IUPAC name of (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one (CID 58766075) is (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one.
What is the SMILES notation for (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one?
The canonical SMILES for (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one is CC(C)(C)[Si](C)(C)O[C@H]1C2OCO[C@@H]2CO[C@]12CNC(=O)O2.
What is the InChIKey of (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one?
The InChIKey is YQULVMLVZFGNIL-INCBPPMDSA-N. The full InChI is InChI=1S/C14H25NO6Si/c1-13(2,3)22(4,5)21-11-10-9(17-8-18-10)6-19-14(11)7-15-12(16)20-14/h9-11H,6-8H2,1-5H3,(H,15,16)/t9-,10?,11+,14+/m1/s1.
What are the key properties of (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one?
(3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one has a molecular weight of 331.44 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,5S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one is sourced from PubChem (CID 58766075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).