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

C16H31NO5Si — CID 23240035

IUPACN-[(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
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H](NC=O)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C16H31NO5Si/c1-10(22-23(7,8)15(2,3)4)11-12-13(14(19-11)17-9-18)21-16(5,6)20-12/h9-14H,1-8H3,(H,17,18)/t10-,11-,12-,13-,14-/m1/s1
InChIKeyNCHXNWVNFWOHGL-DHGKCCLASA-N
MW345.51 g/mol
LogP2.39
Rot. Bonds5

About 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

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 (PubChem CID 23240035) has the molecular formula C16H31NO5Si and a molecular weight of 345.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID23240035
Molecular FormulaC16H31NO5Si
Molecular Weight345.51 g/mol
Exact Mass345.20
IUPAC NameN-[(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
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H](NC=O)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C16H31NO5Si/c1-10(22-23(7,8)15(2,3)4)11-12-13(14(19-11)17-9-18)21-16(5,6)20-12/h9-14H,1-8H3,(H,17,18)/t10-,11-,12-,13-,14-/m1/s1
InChIKeyNCHXNWVNFWOHGL-DHGKCCLASA-N
XLogP2.39
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
(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]oxyspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 58766075
(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
methyl N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]carbamate
CID 59671234
(3'aR,5S,7'S,7'aR)-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 10916078
N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]formamide
CID 10958508
(3'aR,5S,7'S,7'aR)-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 11728082

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H](NC=O)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of 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?
The InChIKey is NCHXNWVNFWOHGL-DHGKCCLASA-N. The full InChI is InChI=1S/C16H31NO5Si/c1-10(22-23(7,8)15(2,3)4)11-12-13(14(19-11)17-9-18)21-16(5,6)20-12/h9-14H,1-8H3,(H,17,18)/t10-,11-,12-,13-,14-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 345.51 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 23240035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).