tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate

C13H21NO4 — CID 11391188

IUPACtert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C=CC2(CC1)OCCO2
InChIInChI=1S/C13H21NO4/c1-12(2,3)18-11(15)14-10-4-6-13(7-5-10)16-8-9-17-13/h4,6,10H,5,7-9H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyHHMZPRCEJKFDQX-JTQLQIEISA-N
MW255.31 g/mol
LogP1.97
Rot. Bonds1

About tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate

tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate (PubChem CID 11391188) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate
PubChem CID11391188
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Nametert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C=CC2(CC1)OCCO2
InChIInChI=1S/C13H21NO4/c1-12(2,3)18-11(15)14-10-4-6-13(7-5-10)16-8-9-17-13/h4,6,10H,5,7-9H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyHHMZPRCEJKFDQX-JTQLQIEISA-N
XLogP1.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate?
The IUPAC name of tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate (CID 11391188) is tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate?
The canonical SMILES for tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C=CC2(CC1)OCCO2.
What is the InChIKey of tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate?
The InChIKey is HHMZPRCEJKFDQX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21NO4/c1-12(2,3)18-11(15)14-10-4-6-13(7-5-10)16-8-9-17-13/h4,6,10H,5,7-9H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate?
tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate has a molecular weight of 255.31 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(8R)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]carbamate is sourced from PubChem (CID 11391188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).