tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate

C14H23NO3 — CID 172575429

IUPACtert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCC1=CCOC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H23NO3/c1-11-5-10-17-14(11)6-8-15(9-7-14)12(16)18-13(2,3)4/h5H,6-10H2,1-4H3
InChIKeyXUCUJAQNDBULNS-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.73
Rot. Bonds

About tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate

tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate (PubChem CID 172575429) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
PubChem CID172575429
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCC1=CCOC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H23NO3/c1-11-5-10-17-14(11)6-8-15(9-7-14)12(16)18-13(2,3)4/h5H,6-10H2,1-4H3
InChIKeyXUCUJAQNDBULNS-UHFFFAOYSA-N
XLogP2.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 172575282
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tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
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CID 172575359
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CID 177036398
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CID 176829524
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CID 164762717
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CID 86693715
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CID 130609664
tert-butyl 2-oxospiro[1H-4,1-benzoxazepine-5,4'-piperidine]-1'-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The IUPAC name of tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate (CID 172575429) is tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate is CC1=CCOC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The InChIKey is XUCUJAQNDBULNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11-5-10-17-14(11)6-8-15(9-7-14)12(16)18-13(2,3)4/h5H,6-10H2,1-4H3.
What are the key properties of tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate is sourced from PubChem (CID 172575429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).