(2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal

C23H48O7Si — CID 10671839

IUPAC(2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal
SMILESCOCO[C@@H]([C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)OCOC)[C@H](C)CC[C@@H](C=O)OC
InChIInChI=1S/C23H48O7Si/c1-18(11-12-20(15-24)27-8)22(29-17-26-7)19(2)21(28-16-25-6)13-14-30-31(9,10)23(3,4)5/h15,18-22H,11-14,16-17H2,1-10H3/t18-,19-,20+,21-,22-/m1/s1
InChIKeySRJDMNNLVNOMAL-QMCAAQAGSA-N
MW464.72 g/mol
LogP4.64
Rot. Bonds18

About (2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal

(2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal (PubChem CID 10671839) has the molecular formula C23H48O7Si and a molecular weight of 464.72 g/mol. Its IUPAC name is (2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal.

Molecular Properties

Compound Name(2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal
PubChem CID10671839
Molecular FormulaC23H48O7Si
Molecular Weight464.72 g/mol
Exact Mass464.32
IUPAC Name(2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal
SMILESCOCO[C@@H]([C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)OCOC)[C@H](C)CC[C@@H](C=O)OC
InChIInChI=1S/C23H48O7Si/c1-18(11-12-20(15-24)27-8)22(29-17-26-7)19(2)21(28-16-25-6)13-14-30-31(9,10)23(3,4)5/h15,18-22H,11-14,16-17H2,1-10H3/t18-,19-,20+,21-,22-/m1/s1
InChIKeySRJDMNNLVNOMAL-QMCAAQAGSA-N
XLogP4.64
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.72
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 (2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal 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

methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate
CID 11362502
(3S,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4,6-dimethylheptanal
CID 101579951
2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]ethanone
CID 10095810
2-[4-[Tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde
CID 21246038
1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one
CID 10315510
(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde
CID 10471048
(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylheptanal
CID 10475284
(4R,5R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-4,6-dimethylheptanal
CID 10592730
3-[(2S,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,5-dimethyloxan-2-yl]propanal
CID 10892885
2-[2-Cyclohexyl-2-[dimethyl(propan-2-yl)silyl]oxyethyl]-4,4-diethoxybutanal
CID 11036481
(4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-4,6-dimethylheptanal
CID 11174969
(4S,6R,9R)-4-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-1,7-dioxaspiro[5.5]undecan-3-one
CID 11727200

Frequently Asked Questions

What is the IUPAC name of (2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal?
The IUPAC name of (2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal (CID 10671839) is (2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal.
What is the SMILES notation for (2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal?
The canonical SMILES for (2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal is COCO[C@@H]([C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)OCOC)[C@H](C)CC[C@@H](C=O)OC.
What is the InChIKey of (2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal?
The InChIKey is SRJDMNNLVNOMAL-QMCAAQAGSA-N. The full InChI is InChI=1S/C23H48O7Si/c1-18(11-12-20(15-24)27-8)22(29-17-26-7)19(2)21(28-16-25-6)13-14-30-31(9,10)23(3,4)5/h15,18-22H,11-14,16-17H2,1-10H3/t18-,19-,20+,21-,22-/m1/s1.
What are the key properties of (2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal?
(2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal has a molecular weight of 464.72 g/mol, XLogP of 4.64, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal is sourced from PubChem (CID 10671839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).