(6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate

C14H25NO4 — CID 21026397

IUPAC(6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate
SMILESCC(=O)ON1C(C)(C)CC2(OCCO2)C(C)C1(C)C
InChIInChI=1S/C14H25NO4/c1-10-13(5,6)15(19-11(2)16)12(3,4)9-14(10)17-7-8-18-14/h10H,7-9H2,1-6H3
InChIKeyGYSIKFPADGTMLD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.11
Rot. Bonds1

About (6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate

(6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate (PubChem CID 21026397) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate.

Molecular Properties

Compound Name(6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate
PubChem CID21026397
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate
SMILESCC(=O)ON1C(C)(C)CC2(OCCO2)C(C)C1(C)C
InChIInChI=1S/C14H25NO4/c1-10-13(5,6)15(19-11(2)16)12(3,4)9-14(10)17-7-8-18-14/h10H,7-9H2,1-6H3
InChIKeyGYSIKFPADGTMLD-UHFFFAOYSA-N
XLogP2.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate?
The IUPAC name of (6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate (CID 21026397) is (6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate.
What is the SMILES notation for (6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate?
The canonical SMILES for (6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate is CC(=O)ON1C(C)(C)CC2(OCCO2)C(C)C1(C)C.
What is the InChIKey of (6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate?
The InChIKey is GYSIKFPADGTMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10-13(5,6)15(19-11(2)16)12(3,4)9-14(10)17-7-8-18-14/h10H,7-9H2,1-6H3.
What are the key properties of (6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate?
(6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate has a molecular weight of 271.36 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7,7,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate is sourced from PubChem (CID 21026397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).