tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate

C24H39NO6 — CID 164672185

IUPACtert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CC=C[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C24H39NO6/c1-22(2,3)31-21(26)25-13-9-12-16(25)11-8-10-15-14-17-19(29-23(4,5)27-17)20-18(15)28-24(6,7)30-20/h8,10,15-20H,9,11-14H2,1-7H3/t15-,16?,17-,18-,19-,20-/m0/s1
InChIKeyVTIDNJYNJUBFLY-SNEAHAEPSA-N
MW437.58 g/mol
LogP4.39
Rot. Bonds3

About tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate

tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate (PubChem CID 164672185) has the molecular formula C24H39NO6 and a molecular weight of 437.58 g/mol. Its IUPAC name is tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate
PubChem CID164672185
Molecular FormulaC24H39NO6
Molecular Weight437.58 g/mol
Exact Mass437.28
IUPAC Nametert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CC=C[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C24H39NO6/c1-22(2,3)31-21(26)25-13-9-12-16(25)11-8-10-15-14-17-19(29-23(4,5)27-17)20-18(15)28-24(6,7)30-20/h8,10,15-20H,9,11-14H2,1-7H3/t15-,16?,17-,18-,19-,20-/m0/s1
InChIKeyVTIDNJYNJUBFLY-SNEAHAEPSA-N
XLogP4.39
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
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tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
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tert-butyl 4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate (CID 164672185) is tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1CC=C[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate?
The InChIKey is VTIDNJYNJUBFLY-SNEAHAEPSA-N. The full InChI is InChI=1S/C24H39NO6/c1-22(2,3)31-21(26)25-13-9-12-16(25)11-8-10-15-14-17-19(29-23(4,5)27-17)20-18(15)28-24(6,7)30-20/h8,10,15-20H,9,11-14H2,1-7H3/t15-,16?,17-,18-,19-,20-/m0/s1.
What are the key properties of tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate has a molecular weight of 437.58 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[(1S,2S,6S,7R,9S)-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl]prop-2-enyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 164672185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).