tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid

C26H49NO4Sn — CID 67660305

IUPACtert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid
SMILESCCCC[Sn](C=CC1CCC(C(=O)OC)(N(C(=O)O)C(C)(C)C)C1)(CCCC)CCCC
InChIInChI=1S/C14H22NO4.3C4H9.Sn/c1-6-10-7-8-14(9-10,11(16)19-5)15(12(17)18)13(2,3)4;3*1-3-4-2;/h1,6,10H,7-9H2,2-5H3,(H,17,18);3*1,3-4H2,2H3;
InChIKeyKEYBUBPDCYFPEJ-UHFFFAOYSA-N
MW558.39 g/mol
LogP7.42
Rot. Bonds13

About tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid

tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid (PubChem CID 67660305) has the molecular formula C26H49NO4Sn and a molecular weight of 558.39 g/mol. Its IUPAC name is tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid
PubChem CID67660305
Molecular FormulaC26H49NO4Sn
Molecular Weight558.39 g/mol
Exact Mass559.27
IUPAC Nametert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid
SMILESCCCC[Sn](C=CC1CCC(C(=O)OC)(N(C(=O)O)C(C)(C)C)C1)(CCCC)CCCC
InChIInChI=1S/C14H22NO4.3C4H9.Sn/c1-6-10-7-8-14(9-10,11(16)19-5)15(12(17)18)13(2,3)4;3*1-3-4-2;/h1,6,10H,7-9H2,2-5H3,(H,17,18);3*1,3-4H2,2H3;
InChIKeyKEYBUBPDCYFPEJ-UHFFFAOYSA-N
XLogP7.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.39
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid?
The IUPAC name of tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid (CID 67660305) is tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid?
The canonical SMILES for tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid is CCCC[Sn](C=CC1CCC(C(=O)OC)(N(C(=O)O)C(C)(C)C)C1)(CCCC)CCCC.
What is the InChIKey of tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid?
The InChIKey is KEYBUBPDCYFPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO4.3C4H9.Sn/c1-6-10-7-8-14(9-10,11(16)19-5)15(12(17)18)13(2,3)4;3*1-3-4-2;/h1,6,10H,7-9H2,2-5H3,(H,17,18);3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid?
tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid has a molecular weight of 558.39 g/mol, XLogP of 7.42, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-methoxycarbonyl-3-(2-tributylstannylethenyl)cyclopentyl]carbamic acid is sourced from PubChem (CID 67660305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).