tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate

C19H35NO5 — CID 147579983

IUPACtert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate
SMILESCC(C)(C)OC(=O)CC(CCCCCCCO)=NC(=O)OC(C)(C)C
InChIInChI=1S/C19H35NO5/c1-18(2,3)24-16(22)14-15(12-10-8-7-9-11-13-21)20-17(23)25-19(4,5)6/h21H,7-14H2,1-6H3
InChIKeyFWFKLNGSWYQBSR-UHFFFAOYSA-N
MW357.49 g/mol
LogP4.43
Rot. Bonds9

About tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate

tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate (PubChem CID 147579983) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate.

Molecular Properties

Compound Nametert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate
PubChem CID147579983
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Nametert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate
SMILESCC(C)(C)OC(=O)CC(CCCCCCCO)=NC(=O)OC(C)(C)C
InChIInChI=1S/C19H35NO5/c1-18(2,3)24-16(22)14-15(12-10-8-7-9-11-13-21)20-17(23)25-19(4,5)6/h21H,7-14H2,1-6H3
InChIKeyFWFKLNGSWYQBSR-UHFFFAOYSA-N
XLogP4.43
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate?
The IUPAC name of tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate (CID 147579983) is tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate.
What is the SMILES notation for tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate?
The canonical SMILES for tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate is CC(C)(C)OC(=O)CC(CCCCCCCO)=NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate?
The InChIKey is FWFKLNGSWYQBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO5/c1-18(2,3)24-16(22)14-15(12-10-8-7-9-11-13-21)20-17(23)25-19(4,5)6/h21H,7-14H2,1-6H3.
What are the key properties of tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate?
tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate has a molecular weight of 357.49 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylimino]decanoate is sourced from PubChem (CID 147579983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).