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

C19H33NO6 — CID 142185067

IUPAC[(3S)-8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate
SMILESCCC1(C)CC2(OC[C@@H](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/t13?,16-,17?,18?,19?/m1/s1
InChIKeySLNUGIHOPFRSQA-JEQUJWONSA-N
MW371.47 g/mol
LogP2.82
Rot. Bonds5

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

[(3S)-8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate (PubChem CID 142185067) has the molecular formula C19H33NO6 and a molecular weight of 371.47 g/mol. Its IUPAC name is [(3S)-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[(3S)-8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate
PubChem CID142185067
Molecular FormulaC19H33NO6
Molecular Weight371.47 g/mol
Exact Mass371.23
IUPAC Name[(3S)-8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate
SMILESCCC1(C)CC2(OC[C@@H](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/t13?,16-,17?,18?,19?/m1/s1
InChIKeySLNUGIHOPFRSQA-JEQUJWONSA-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 [(3S)-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 [(3S)-8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate (CID 142185067) is [(3S)-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 [(3S)-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 [(3S)-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(OC[C@@H](COC(C)=O)O2)C(C)C(C)(CC)N1OC(C)=O.
What is the InChIKey of [(3S)-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-JEQUJWONSA-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/t13?,16-,17?,18?,19?/m1/s1.
What are the key properties of [(3S)-8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate?
[(3S)-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 [(3S)-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 142185067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).