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

C19H29NO3 — CID 70588218

IUPAC(8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
SMILESCC1(C)CC2(CC(C)(C)N1Cc1ccccc1)OCC(CO)O2
InChIInChI=1S/C19H29NO3/c1-17(2)13-19(22-12-16(11-21)23-19)14-18(3,4)20(17)10-15-8-6-5-7-9-15/h5-9,16,21H,10-14H2,1-4H3
InChIKeyDBMFYDQTDJNAJA-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.94
Rot. Bonds3

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

(8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol (PubChem CID 70588218) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is (8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol.

Molecular Properties

Compound Name(8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
PubChem CID70588218
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name(8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
SMILESCC1(C)CC2(CC(C)(C)N1Cc1ccccc1)OCC(CO)O2
InChIInChI=1S/C19H29NO3/c1-17(2)13-19(22-12-16(11-21)23-19)14-18(3,4)20(17)10-15-8-6-5-7-9-15/h5-9,16,21H,10-14H2,1-4H3
InChIKeyDBMFYDQTDJNAJA-UHFFFAOYSA-N
XLogP2.94
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol?
The IUPAC name of (8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol (CID 70588218) is (8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol.
What is the SMILES notation for (8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol?
The canonical SMILES for (8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol is CC1(C)CC2(CC(C)(C)N1Cc1ccccc1)OCC(CO)O2.
What is the InChIKey of (8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol?
The InChIKey is DBMFYDQTDJNAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-17(2)13-19(22-12-16(11-21)23-19)14-18(3,4)20(17)10-15-8-6-5-7-9-15/h5-9,16,21H,10-14H2,1-4H3.
What are the key properties of (8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol?
(8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol has a molecular weight of 319.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol is sourced from PubChem (CID 70588218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).