[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol

C12H23NO4 — CID 99492998

IUPAC[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
SMILESCC1(C)CC2(CC(C)(C)N1O)OC[C@@H](CO)O2
InChIInChI=1S/C12H23NO4/c1-10(2)7-12(8-11(3,4)13(10)15)16-6-9(5-14)17-12/h9,14-15H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyQZSJOMHHDUGALT-SECBINFHSA-N
MW245.32 g/mol
LogP1.13
Rot. Bonds1

About [(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol

[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol (PubChem CID 99492998) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
PubChem CID99492998
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
SMILESCC1(C)CC2(CC(C)(C)N1O)OC[C@@H](CO)O2
InChIInChI=1S/C12H23NO4/c1-10(2)7-12(8-11(3,4)13(10)15)16-6-9(5-14)17-12/h9,14-15H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyQZSJOMHHDUGALT-SECBINFHSA-N
XLogP1.13
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol?
The IUPAC name of [(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol (CID 99492998) is [(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol.
What is the SMILES notation for [(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol?
The canonical SMILES for [(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol is CC1(C)CC2(CC(C)(C)N1O)OC[C@@H](CO)O2.
What is the InChIKey of [(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol?
The InChIKey is QZSJOMHHDUGALT-SECBINFHSA-N. The full InChI is InChI=1S/C12H23NO4/c1-10(2)7-12(8-11(3,4)13(10)15)16-6-9(5-14)17-12/h9,14-15H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of [(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol?
[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol has a molecular weight of 245.32 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol is sourced from PubChem (CID 99492998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).