tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate

C18H33NO4 — CID 25098951

IUPACtert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate
SMILESCCCCC(/C=C\COC1CCCN1C(=O)OC(C)(C)C)OC
InChIInChI=1S/C18H33NO4/c1-6-7-10-15(21-5)11-9-14-22-16-12-8-13-19(16)17(20)23-18(2,3)4/h9,11,15-16H,6-8,10,12-14H2,1-5H3/b11-9-
InChIKeyLVCVZOCGJPANSR-LUAWRHEFSA-N
MW327.47 g/mol
LogP4.12
Rot. Bonds8

About tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate

tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate (PubChem CID 25098951) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate
PubChem CID25098951
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Nametert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate
SMILESCCCCC(/C=C\COC1CCCN1C(=O)OC(C)(C)C)OC
InChIInChI=1S/C18H33NO4/c1-6-7-10-15(21-5)11-9-14-22-16-12-8-13-19(16)17(20)23-18(2,3)4/h9,11,15-16H,6-8,10,12-14H2,1-5H3/b11-9-
InChIKeyLVCVZOCGJPANSR-LUAWRHEFSA-N
XLogP4.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-butoxypyrrolidine-1-carboxylate
CID 90863874
tert-butyl (2R)-2-prop-2-enoxypyrrolidine-1-carboxylate
CID 59825158
tert-butyl 2-ethoxypyrrolidine-1-carboxylate
CID 11171930
tert-butyl 2-ethoxyazocane-1-carboxylate
CID 101126041
tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol
CID 66592390
tert-butyl 2-[2-(heptan-2-ylamino)cyclopentyl]pyrrolidine-1-carboxylate
CID 113248518
tert-butyl 2-methoxypiperidine-1-carboxylate
CID 11424460
tert-butyl 2-[2-(octan-2-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244437
tert-butyl (2S)-2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 162399038
tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate
CID 10972577
1-O-tert-butyl 2-O-[(5S)-1-(methylamino)-1-oxotridecan-5-yl] pyrrolidine-1,2-dicarboxylate
CID 122213395
butane;ethane;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 145080394

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate (CID 25098951) is tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate is CCCCC(/C=C\COC1CCCN1C(=O)OC(C)(C)C)OC.
What is the InChIKey of tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate?
The InChIKey is LVCVZOCGJPANSR-LUAWRHEFSA-N. The full InChI is InChI=1S/C18H33NO4/c1-6-7-10-15(21-5)11-9-14-22-16-12-8-13-19(16)17(20)23-18(2,3)4/h9,11,15-16H,6-8,10,12-14H2,1-5H3/b11-9-.
What are the key properties of tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate?
tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate has a molecular weight of 327.47 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(Z)-4-methoxyoct-2-enoxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 25098951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).