(2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal

C18H38O5Si — CID 46899844

IUPAC(2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal
SMILESCOCO[C@@H](C[C@H](OC)C(C)C=O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si/c1-14(11-19)16(21-7)10-17(22-13-20-6)15(2)12-23-24(8,9)18(3,4)5/h11,14-17H,10,12-13H2,1-9H3/t14?,15-,16+,17+/m1/s1
InChIKeyKVLPPYIECIVYGF-HIGTXEFZSA-N
MW362.58 g/mol
LogP3.87
Rot. Bonds12

About (2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal

(2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal (PubChem CID 46899844) has the molecular formula C18H38O5Si and a molecular weight of 362.58 g/mol. Its IUPAC name is (2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal.

Molecular Properties

Compound Name(2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal
PubChem CID46899844
Molecular FormulaC18H38O5Si
Molecular Weight362.58 g/mol
Exact Mass362.25
IUPAC Name(2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal
SMILESCOCO[C@@H](C[C@H](OC)C(C)C=O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si/c1-14(11-19)16(21-7)10-17(22-13-20-6)15(2)12-23-24(8,9)18(3,4)5/h11,14-17H,10,12-13H2,1-9H3/t14?,15-,16+,17+/m1/s1
InChIKeyKVLPPYIECIVYGF-HIGTXEFZSA-N
XLogP3.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.58
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal?
The IUPAC name of (2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal (CID 46899844) is (2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal.
What is the SMILES notation for (2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal?
The canonical SMILES for (2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal is COCO[C@@H](C[C@H](OC)C(C)C=O)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal?
The InChIKey is KVLPPYIECIVYGF-HIGTXEFZSA-N. The full InChI is InChI=1S/C18H38O5Si/c1-14(11-19)16(21-7)10-17(22-13-20-6)15(2)12-23-24(8,9)18(3,4)5/h11,14-17H,10,12-13H2,1-9H3/t14?,15-,16+,17+/m1/s1.
What are the key properties of (2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal?
(2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal has a molecular weight of 362.58 g/mol, XLogP of 3.87, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(methoxymethoxy)-2,6-dimethylheptanal is sourced from PubChem (CID 46899844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).