ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate

C15H27NO3 — CID 607316

IUPACethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate
SMILESCCOC(=O)CN1CCCC2(CCOC(C)(C)C2)C1
InChIInChI=1S/C15H27NO3/c1-4-18-13(17)10-16-8-5-6-15(12-16)7-9-19-14(2,3)11-15/h4-12H2,1-3H3
InChIKeyHRWGNEXYRCSCJB-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.22
Rot. Bonds3

About ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate

ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate (PubChem CID 607316) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate
PubChem CID607316
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate
SMILESCCOC(=O)CN1CCCC2(CCOC(C)(C)C2)C1
InChIInChI=1S/C15H27NO3/c1-4-18-13(17)10-16-8-5-6-15(12-16)7-9-19-14(2,3)11-15/h4-12H2,1-3H3
InChIKeyHRWGNEXYRCSCJB-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate?
The IUPAC name of ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate (CID 607316) is ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate?
The canonical SMILES for ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate is CCOC(=O)CN1CCCC2(CCOC(C)(C)C2)C1.
What is the InChIKey of ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate?
The InChIKey is HRWGNEXYRCSCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-18-13(17)10-16-8-5-6-15(12-16)7-9-19-14(2,3)11-15/h4-12H2,1-3H3.
What are the key properties of ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate?
ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate has a molecular weight of 269.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(10,10-dimethyl-9-oxa-2-azaspiro[5.5]undecan-2-yl)acetate is sourced from PubChem (CID 607316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).