[3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol

C26H41NO6 — CID 91404054

IUPAC[3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol
SMILESCCC1(CO)COC2(CC(C)(C)N(OCCc3ccc(OCC4CO4)cc3)C(C)(C)C2)OC1
InChIInChI=1S/C26H41NO6/c1-6-25(17-28)18-31-26(32-19-25)15-23(2,3)27(24(4,5)16-26)33-12-11-20-7-9-21(10-8-20)29-13-22-14-30-22/h7-10,22,28H,6,11-19H2,1-5H3
InChIKeySLOHNLSJSWPCCG-UHFFFAOYSA-N
MW463.62 g/mol
LogP3.72
Rot. Bonds9

About [3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol

[3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol (PubChem CID 91404054) has the molecular formula C26H41NO6 and a molecular weight of 463.62 g/mol. Its IUPAC name is [3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol
PubChem CID91404054
Molecular FormulaC26H41NO6
Molecular Weight463.62 g/mol
Exact Mass463.29
IUPAC Name[3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol
SMILESCCC1(CO)COC2(CC(C)(C)N(OCCc3ccc(OCC4CO4)cc3)C(C)(C)C2)OC1
InChIInChI=1S/C26H41NO6/c1-6-25(17-28)18-31-26(32-19-25)15-23(2,3)27(24(4,5)16-26)33-12-11-20-7-9-21(10-8-20)29-13-22-14-30-22/h7-10,22,28H,6,11-19H2,1-5H3
InChIKeySLOHNLSJSWPCCG-UHFFFAOYSA-N
XLogP3.72
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol?
The IUPAC name of [3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol (CID 91404054) is [3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol.
What is the SMILES notation for [3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol?
The canonical SMILES for [3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol is CCC1(CO)COC2(CC(C)(C)N(OCCc3ccc(OCC4CO4)cc3)C(C)(C)C2)OC1.
What is the InChIKey of [3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol?
The InChIKey is SLOHNLSJSWPCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO6/c1-6-25(17-28)18-31-26(32-19-25)15-23(2,3)27(24(4,5)16-26)33-12-11-20-7-9-21(10-8-20)29-13-22-14-30-22/h7-10,22,28H,6,11-19H2,1-5H3.
What are the key properties of [3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol?
[3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol has a molecular weight of 463.62 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol is sourced from PubChem (CID 91404054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).