(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde

C16H32O4Si — CID 10471048

IUPAC(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde
SMILESC[C@H]1CC[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C=O
InChIInChI=1S/C16H32O4Si/c1-13-6-7-15(20-16(13)10-17)14(2)11-19-12-18-8-9-21(3,4)5/h10,13-16H,6-9,11-12H2,1-5H3/t13-,14-,15+,16-/m0/s1
InChIKeyBMZQSWOIHFIXBF-JONQDZQNSA-N
MW316.51 g/mol
LogP3.33
Rot. Bonds9

About (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde

(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde (PubChem CID 10471048) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde
PubChem CID10471048
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde
SMILESC[C@H]1CC[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C=O
InChIInChI=1S/C16H32O4Si/c1-13-6-7-15(20-16(13)10-17)14(2)11-19-12-18-8-9-21(3,4)5/h10,13-16H,6-9,11-12H2,1-5H3/t13-,14-,15+,16-/m0/s1
InChIKeyBMZQSWOIHFIXBF-JONQDZQNSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-5-(oxan-2-yloxy)heptanal
CID 134863365
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
1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one
CID 10315510
(3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylheptanal
CID 10475284
(2S,5R,6R,7R,8R)-10-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-bis(methoxymethoxy)-5,7-dimethyldecanal
CID 10671839
3-[(2S,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,5-dimethyloxan-2-yl]propanal
CID 10892885
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5R)-2,2-dimethyl-4-pentyl-1,3-dioxan-5-yl]propanal
CID 11234125
(2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal
CID 46895516
(2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-(methoxymethoxy)propanal
CID 102397273
(3S,4R,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylheptanal
CID 102447026

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde?
The IUPAC name of (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde (CID 10471048) is (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde.
What is the SMILES notation for (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde?
The canonical SMILES for (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde is C[C@H]1CC[C@H]([C@@H](C)COCOCC[Si](C)(C)C)O[C@H]1C=O.
What is the InChIKey of (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde?
The InChIKey is BMZQSWOIHFIXBF-JONQDZQNSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-13-6-7-15(20-16(13)10-17)14(2)11-19-12-18-8-9-21(3,4)5/h10,13-16H,6-9,11-12H2,1-5H3/t13-,14-,15+,16-/m0/s1.
What are the key properties of (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde?
(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde has a molecular weight of 316.51 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxane-2-carbaldehyde is sourced from PubChem (CID 10471048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).