(8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate

C32H53NO5 — CID 88808800

IUPAC(8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate
SMILESCCC1(C)CC2(OCC(C)(COC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CO2)C(C)C(C)(CC)N1
InChIInChI=1S/C32H53NO5/c1-13-30(11)17-32(21(3)31(12,14-2)33-30)37-19-29(10,20-38-32)18-36-26(35)22-15-23(27(4,5)6)25(34)24(16-22)28(7,8)9/h15-16,21,33-34H,13-14,17-20H2,1-12H3
InChIKeyBSXXHLWDQSGDMU-UHFFFAOYSA-N
MW531.78 g/mol
LogP6.86
Rot. Bonds5

About (8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate

(8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate (PubChem CID 88808800) has the molecular formula C32H53NO5 and a molecular weight of 531.78 g/mol. Its IUPAC name is (8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate.

Molecular Properties

Compound Name(8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate
PubChem CID88808800
Molecular FormulaC32H53NO5
Molecular Weight531.78 g/mol
Exact Mass531.39
IUPAC Name(8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate
SMILESCCC1(C)CC2(OCC(C)(COC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CO2)C(C)C(C)(CC)N1
InChIInChI=1S/C32H53NO5/c1-13-30(11)17-32(21(3)31(12,14-2)33-30)37-19-29(10,20-38-32)18-36-26(35)22-15-23(27(4,5)6)25(34)24(16-22)28(7,8)9/h15-16,21,33-34H,13-14,17-20H2,1-12H3
InChIKeyBSXXHLWDQSGDMU-UHFFFAOYSA-N
XLogP6.86
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.78
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate?
The IUPAC name of (8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate (CID 88808800) is (8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate.
What is the SMILES notation for (8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate?
The canonical SMILES for (8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate is CCC1(C)CC2(OCC(C)(COC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CO2)C(C)C(C)(CC)N1.
What is the InChIKey of (8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate?
The InChIKey is BSXXHLWDQSGDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53NO5/c1-13-30(11)17-32(21(3)31(12,14-2)33-30)37-19-29(10,20-38-32)18-36-26(35)22-15-23(27(4,5)6)25(34)24(16-22)28(7,8)9/h15-16,21,33-34H,13-14,17-20H2,1-12H3.
What are the key properties of (8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate?
(8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate has a molecular weight of 531.78 g/mol, XLogP of 6.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate is sourced from PubChem (CID 88808800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).