tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate

C16H30N2O3 — CID 170651649

IUPACtert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC2(CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C16H30N2O3/c1-14(2,3)18-8-7-16(12-18)11-17(9-10-20-16)13(19)21-15(4,5)6/h7-12H2,1-6H3
InChIKeyMDZYOHHPLYSEKD-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.50
Rot. Bonds

About tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 170651649) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID170651649
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC2(CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C16H30N2O3/c1-14(2,3)18-8-7-16(12-18)11-17(9-10-20-16)13(19)21-15(4,5)6/h7-12H2,1-6H3
InChIKeyMDZYOHHPLYSEKD-UHFFFAOYSA-N
XLogP2.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 9-oxo-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 71305766
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799
tert-butyl 2-benzyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 23548221
tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 166115550
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate
CID 100911271
tert-butyl 2-(5-methoxypyrimidine-2-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 131684259
tert-butyl 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171919158
tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 155891545
tert-butyl 2-(2-ethoxy-2-oxoethyl)-2-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate
CID 177330033
tert-butyl 4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 151011850
tert-butyl 4-propan-2-ylsulfanyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134424896

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate (CID 170651649) is tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate is CC(C)(C)OC(=O)N1CCOC2(CCN(C(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is MDZYOHHPLYSEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-14(2,3)18-8-7-16(12-18)11-17(9-10-20-16)13(19)21-15(4,5)6/h7-12H2,1-6H3.
What are the key properties of tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 170651649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).