(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde

C24H48O3Si — CID 25138625

IUPAC(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde
SMILESCCCCCCCCCCCC[C@H]1O[C@@H](C=O)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-22-23(19-18-21(20-25)26-22)27-28(5,6)24(2,3)4/h20-23H,7-19H2,1-6H3/t21-,22-,23-/m1/s1
InChIKeyKKFZKXRIHBROME-DNVJHFABSA-N
MW412.73 g/mol
LogP7.43
Rot. Bonds14

About (2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde

(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde (PubChem CID 25138625) has the molecular formula C24H48O3Si and a molecular weight of 412.73 g/mol. Its IUPAC name is (2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde
PubChem CID25138625
Molecular FormulaC24H48O3Si
Molecular Weight412.73 g/mol
Exact Mass412.34
IUPAC Name(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde
SMILESCCCCCCCCCCCC[C@H]1O[C@@H](C=O)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-22-23(19-18-21(20-25)26-22)27-28(5,6)24(2,3)4/h20-23H,7-19H2,1-6H3/t21-,22-,23-/m1/s1
InChIKeyKKFZKXRIHBROME-DNVJHFABSA-N
XLogP7.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 10024691
(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 11036533
(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
3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propanal
CID 135044553
6-(1-(tert-butyldimethylsilyloxy)propyl)dihydro-2H-pyran-3(4H)-one
CID 58063709
(3S)-3-[(2S,3S,5R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethyl-5-methyloxan-2-yl]butanal
CID 160202571
(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
(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
(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde
CID 10661985
(2S,6R)-6-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxane-2-carbaldehyde
CID 10791427

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde?
The IUPAC name of (2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde (CID 25138625) is (2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde.
What is the SMILES notation for (2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde?
The canonical SMILES for (2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde is CCCCCCCCCCCC[C@H]1O[C@@H](C=O)CC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde?
The InChIKey is KKFZKXRIHBROME-DNVJHFABSA-N. The full InChI is InChI=1S/C24H48O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-22-23(19-18-21(20-25)26-22)27-28(5,6)24(2,3)4/h20-23H,7-19H2,1-6H3/t21-,22-,23-/m1/s1.
What are the key properties of (2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde?
(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde has a molecular weight of 412.73 g/mol, XLogP of 7.43, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde is sourced from PubChem (CID 25138625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).