(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide

C24H47NO4Si — CID 58991011

IUPAC(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide
SMILESC=C1CC(CCCC)OC1CC[C@H](C[C@@H](C)C(=O)N(C)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H47NO4Si/c1-11-12-13-20-16-18(2)22(28-20)15-14-21(29-30(9,10)24(4,5)6)17-19(3)23(26)25(7)27-8/h19-22H,2,11-17H2,1,3-10H3/t19-,20?,21-,22?/m1/s1
InChIKeyHQWALGVOOFNLBQ-BJTVZRGDSA-N
MW441.73 g/mol
LogP6.11
Rot. Bonds12

About (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide (PubChem CID 58991011) has the molecular formula C24H47NO4Si and a molecular weight of 441.73 g/mol. Its IUPAC name is (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide.

Molecular Properties

Compound Name(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide
PubChem CID58991011
Molecular FormulaC24H47NO4Si
Molecular Weight441.73 g/mol
Exact Mass441.33
IUPAC Name(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide
SMILESC=C1CC(CCCC)OC1CC[C@H](C[C@@H](C)C(=O)N(C)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H47NO4Si/c1-11-12-13-20-16-18(2)22(28-20)15-14-21(29-30(9,10)24(4,5)6)17-19(3)23(26)25(7)27-8/h19-22H,2,11-17H2,1,3-10H3/t19-,20?,21-,22?/m1/s1
InChIKeyHQWALGVOOFNLBQ-BJTVZRGDSA-N
XLogP6.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.73
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide?
The IUPAC name of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide (CID 58991011) is (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide.
What is the SMILES notation for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide?
The canonical SMILES for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide is C=C1CC(CCCC)OC1CC[C@H](C[C@@H](C)C(=O)N(C)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide?
The InChIKey is HQWALGVOOFNLBQ-BJTVZRGDSA-N. The full InChI is InChI=1S/C24H47NO4Si/c1-11-12-13-20-16-18(2)22(28-20)15-14-21(29-30(9,10)24(4,5)6)17-19(3)23(26)25(7)27-8/h19-22H,2,11-17H2,1,3-10H3/t19-,20?,21-,22?/m1/s1.
What are the key properties of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide?
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide has a molecular weight of 441.73 g/mol, XLogP of 6.11, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide is sourced from PubChem (CID 58991011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).