(6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane

C19H21NO3 — CID 124817838

IUPAC(6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane
SMILESc1ccc(CN2C[C@@H](COc3ccccc3)OC23COC3)cc1
InChIInChI=1S/C19H21NO3/c1-3-7-16(8-4-1)11-20-12-18(23-19(20)14-21-15-19)13-22-17-9-5-2-6-10-17/h1-10,18H,11-15H2/t18-/m0/s1
InChIKeyVPPSFZPHXKXTJX-SFHVURJKSA-N
MW311.38 g/mol
LogP2.69
Rot. Bonds5

About (6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane

(6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane (PubChem CID 124817838) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane.

Molecular Properties

Compound Name(6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane
PubChem CID124817838
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane
SMILESc1ccc(CN2C[C@@H](COc3ccccc3)OC23COC3)cc1
InChIInChI=1S/C19H21NO3/c1-3-7-16(8-4-1)11-20-12-18(23-19(20)14-21-15-19)13-22-17-9-5-2-6-10-17/h1-10,18H,11-15H2/t18-/m0/s1
InChIKeyVPPSFZPHXKXTJX-SFHVURJKSA-N
XLogP2.69
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane?
The IUPAC name of (6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane (CID 124817838) is (6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane.
What is the SMILES notation for (6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane?
The canonical SMILES for (6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane is c1ccc(CN2C[C@@H](COc3ccccc3)OC23COC3)cc1.
What is the InChIKey of (6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane?
The InChIKey is VPPSFZPHXKXTJX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-7-16(8-4-1)11-20-12-18(23-19(20)14-21-15-19)13-22-17-9-5-2-6-10-17/h1-10,18H,11-15H2/t18-/m0/s1.
What are the key properties of (6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane?
(6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane has a molecular weight of 311.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-benzyl-6-(phenoxymethyl)-2,5-dioxa-8-azaspiro[3.4]octane is sourced from PubChem (CID 124817838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).