(1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol

C24H39NO4Si — CID 101374554

IUPAC(1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC2(CCCC2)[C@H]2CON(Cc3ccccc3)[C@@H]1[C@H]2O
InChIInChI=1S/C24H39NO4Si/c1-23(2,3)30(4,5)28-17-20-21-22(26)19(24(29-20)13-9-10-14-24)16-27-25(21)15-18-11-7-6-8-12-18/h6-8,11-12,19-22,26H,9-10,13-17H2,1-5H3/t19-,20+,21-,22-/m0/s1
InChIKeyRDSHINXQSNCOLO-LRSLUSHPSA-N
MW433.67 g/mol
LogP4.51
Rot. Bonds5

About (1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol

(1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol (PubChem CID 101374554) has the molecular formula C24H39NO4Si and a molecular weight of 433.67 g/mol. Its IUPAC name is (1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol.

Molecular Properties

Compound Name(1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol
PubChem CID101374554
Molecular FormulaC24H39NO4Si
Molecular Weight433.67 g/mol
Exact Mass433.26
IUPAC Name(1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC2(CCCC2)[C@H]2CON(Cc3ccccc3)[C@@H]1[C@H]2O
InChIInChI=1S/C24H39NO4Si/c1-23(2,3)30(4,5)28-17-20-21-22(26)19(24(29-20)13-9-10-14-24)16-27-25(21)15-18-11-7-6-8-12-18/h6-8,11-12,19-22,26H,9-10,13-17H2,1-5H3/t19-,20+,21-,22-/m0/s1
InChIKeyRDSHINXQSNCOLO-LRSLUSHPSA-N
XLogP4.51
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.67
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4S,7R,8R)-9-benzyl-7-methoxy-2,2-dimethyl-3,6,10-trioxa-9-azatricyclo[5.4.0.04,8]undecane
CID 102033887
(1S,5R,8S)-2-benzyl-6,6-dimethyl-8-(trimethylsilyloxymethyl)-3,7-dioxa-2-azabicyclo[3.3.1]nonan-9-one
CID 134835854
(3R,4R,5S,6S)-5-(benzylamino)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(hydroxymethyl)-2,2-dimethyloxan-4-ol
CID 101374560
(1R,5S,6S,8S,9R)-2-benzyl-6-ethenyl-8-(hydroxymethyl)-3,7-dioxa-2-azabicyclo[3.3.1]nonan-9-ol
CID 101907352
(1R,5S,8S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-3,7-dioxa-2-azabicyclo[3.3.1]nonan-9-one
CID 134833999
(1R,5S,8S,9S)-2-benzyl-8-(hydroxymethyl)-6,6-dimethyl-3,7-dioxa-2-azabicyclo[3.3.1]nonan-9-ol
CID 134841930
(1R,5S,8R,9S)-2-benzyl-8-ethynyl-6,6-dimethyl-3,7-dioxa-2-azabicyclo[3.3.1]nonan-9-ol
CID 134866634
(8S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-3,7-dioxa-2-azabicyclo[3.3.1]nonan-9-one
CID 134939062
(1R,5S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-3,7-dioxa-2-azabicyclo[3.3.1]nonan-9-one
CID 135010078
(1S,5R,8S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-3,7-dioxa-2-azabicyclo[3.3.1]nonan-9-one
CID 135010079
(1R,5S,6S,8S,9S)-2-benzyl-6-ethenyl-8-(hydroxymethyl)-3,7-dioxa-2-azabicyclo[3.3.1]nonan-9-ol
CID 135026658
(1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethyl-3,7-dioxa-2-azabicyclo[3.3.1]nonan-9-ol
CID 11154031

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol?
The IUPAC name of (1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol (CID 101374554) is (1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol.
What is the SMILES notation for (1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol?
The canonical SMILES for (1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol is CC(C)(C)[Si](C)(C)OC[C@H]1OC2(CCCC2)[C@H]2CON(Cc3ccccc3)[C@@H]1[C@H]2O.
What is the InChIKey of (1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol?
The InChIKey is RDSHINXQSNCOLO-LRSLUSHPSA-N. The full InChI is InChI=1S/C24H39NO4Si/c1-23(2,3)30(4,5)28-17-20-21-22(26)19(24(29-20)13-9-10-14-24)16-27-25(21)15-18-11-7-6-8-12-18/h6-8,11-12,19-22,26H,9-10,13-17H2,1-5H3/t19-,20+,21-,22-/m0/s1.
What are the key properties of (1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol?
(1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol has a molecular weight of 433.67 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8S,9S)-2-benzyl-8-[[tert-butyl(dimethyl)silyl]oxymethyl]spiro[3,7-dioxa-2-azabicyclo[3.3.1]nonane-6,1'-cyclopentane]-9-ol is sourced from PubChem (CID 101374554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).