(8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate

C19H33NO6 — CID 22182234

IUPAC(8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate
SMILESCCC1(C)CC2(OCC(COC(C)=O)O2)C(C)C(C)(CC)N1OC(C)=O
InChIInChI=1S/C19H33NO6/c1-8-17(6)12-19(24-11-16(25-19)10-23-14(4)21)13(3)18(7,9-2)20(17)26-15(5)22/h13,16H,8-12H2,1-7H3
InChIKeySLNUGIHOPFRSQA-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.82
Rot. Bonds5

About (8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate

(8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate (PubChem CID 22182234) has the molecular formula C19H33NO6 and a molecular weight of 371.47 g/mol. Its IUPAC name is (8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate.

Molecular Properties

Compound Name(8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate
PubChem CID22182234
Molecular FormulaC19H33NO6
Molecular Weight371.47 g/mol
Exact Mass371.23
IUPAC Name(8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate
SMILESCCC1(C)CC2(OCC(COC(C)=O)O2)C(C)C(C)(CC)N1OC(C)=O
InChIInChI=1S/C19H33NO6/c1-8-17(6)12-19(24-11-16(25-19)10-23-14(4)21)13(3)18(7,9-2)20(17)26-15(5)22/h13,16H,8-12H2,1-7H3
InChIKeySLNUGIHOPFRSQA-UHFFFAOYSA-N
XLogP2.82
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate?
The IUPAC name of (8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate (CID 22182234) is (8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate.
What is the SMILES notation for (8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate?
The canonical SMILES for (8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate is CCC1(C)CC2(OCC(COC(C)=O)O2)C(C)C(C)(CC)N1OC(C)=O.
What is the InChIKey of (8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate?
The InChIKey is SLNUGIHOPFRSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO6/c1-8-17(6)12-19(24-11-16(25-19)10-23-14(4)21)13(3)18(7,9-2)20(17)26-15(5)22/h13,16H,8-12H2,1-7H3.
What are the key properties of (8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate?
(8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate has a molecular weight of 371.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate is sourced from PubChem (CID 22182234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).