(2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde

C17H32O4Si — CID 10404263

IUPAC(2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCC[C@@H]2O[C@@H](C=O)CC[C@H]2O1
InChIInChI=1S/C17H32O4Si/c1-17(2,3)22(4,5)19-12-14-7-6-8-15-16(21-14)10-9-13(11-18)20-15/h11,13-16H,6-10,12H2,1-5H3/t13-,14-,15+,16-/m1/s1
InChIKeyDLUWYAQDKITHAO-LVQVYYBASA-N
MW328.52 g/mol
LogP3.69
Rot. Bonds4

About (2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde

(2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde (PubChem CID 10404263) has the molecular formula C17H32O4Si and a molecular weight of 328.52 g/mol. Its IUPAC name is (2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde.

Molecular Properties

Compound Name(2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde
PubChem CID10404263
Molecular FormulaC17H32O4Si
Molecular Weight328.52 g/mol
Exact Mass328.21
IUPAC Name(2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CCC[C@@H]2O[C@@H](C=O)CC[C@H]2O1
InChIInChI=1S/C17H32O4Si/c1-17(2,3)22(4,5)19-12-14-7-6-8-15-16(21-14)10-9-13(11-18)20-15/h11,13-16H,6-10,12H2,1-5H3/t13-,14-,15+,16-/m1/s1
InChIKeyDLUWYAQDKITHAO-LVQVYYBASA-N
XLogP3.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde 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

(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 10024691
methyl 2-[(2S,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-formyloxan-2-yl]acetate
CID 11316799
(2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11496721
(2R,5R)-5-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11834009
(2R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 134833656
5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 134864301
(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyheptyl]oxolane-2-carbaldehyde
CID 10087930
(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyheptyl]oxolane-2-carbaldehyde
CID 10359177
(2S,6R)-6-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxane-2-carbaldehyde
CID 10791427
(2R,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 11308253
(2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11316994
(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolane-2-carbaldehyde
CID 11581785

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde?
The IUPAC name of (2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde (CID 10404263) is (2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde.
What is the SMILES notation for (2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde?
The canonical SMILES for (2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@H]1CCC[C@@H]2O[C@@H](C=O)CC[C@H]2O1.
What is the InChIKey of (2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde?
The InChIKey is DLUWYAQDKITHAO-LVQVYYBASA-N. The full InChI is InChI=1S/C17H32O4Si/c1-17(2,3)22(4,5)19-12-14-7-6-8-15-16(21-14)10-9-13(11-18)20-15/h11,13-16H,6-10,12H2,1-5H3/t13-,14-,15+,16-/m1/s1.
What are the key properties of (2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde?
(2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde has a molecular weight of 328.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6R,9aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine-2-carbaldehyde is sourced from PubChem (CID 10404263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).