tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate

C14H25NO4 — CID 71305733

IUPACtert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCOCC2CO)C1
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-6-4-14(10-15)5-7-18-9-11(14)8-16/h11,16H,4-10H2,1-3H3
InChIKeyBWUREMXNMTZFST-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.64
Rot. Bonds1

About tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate (PubChem CID 71305733) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate
PubChem CID71305733
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCOCC2CO)C1
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-6-4-14(10-15)5-7-18-9-11(14)8-16/h11,16H,4-10H2,1-3H3
InChIKeyBWUREMXNMTZFST-UHFFFAOYSA-N
XLogP1.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate (CID 71305733) is tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCOCC2CO)C1.
What is the InChIKey of tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is BWUREMXNMTZFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-6-4-14(10-15)5-7-18-9-11(14)8-16/h11,16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate?
tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 71305733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).