(4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol

C18H40O5Si2 — CID 10572619

IUPAC(4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol
SMILESCC1(C)O[C@@H](COCC[Si](C)(C)C)C(O)[C@H](COCC[Si](C)(C)C)O1
InChIInChI=1S/C18H40O5Si2/c1-18(2)22-15(13-20-9-11-24(3,4)5)17(19)16(23-18)14-21-10-12-25(6,7)8/h15-17,19H,9-14H2,1-8H3/t15-,16-/m0/s1
InChIKeyXTKAPAWLNZHDOJ-HOTGVXAUSA-N
MW392.69 g/mol
LogP3.58
Rot. Bonds10

About (4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol

(4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol (PubChem CID 10572619) has the molecular formula C18H40O5Si2 and a molecular weight of 392.69 g/mol. Its IUPAC name is (4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol
PubChem CID10572619
Molecular FormulaC18H40O5Si2
Molecular Weight392.69 g/mol
Exact Mass392.24
IUPAC Name(4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol
SMILESCC1(C)O[C@@H](COCC[Si](C)(C)C)C(O)[C@H](COCC[Si](C)(C)C)O1
InChIInChI=1S/C18H40O5Si2/c1-18(2)22-15(13-20-9-11-24(3,4)5)17(19)16(23-18)14-21-10-12-25(6,7)8/h15-17,19H,9-14H2,1-8H3/t15-,16-/m0/s1
InChIKeyXTKAPAWLNZHDOJ-HOTGVXAUSA-N
XLogP3.58
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.69
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2-dimethyl-5-(2-trimethylsilylethoxymethoxymethyl)-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 134864606
[(4S,5S)-5-(butoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 70948147
trimethyl-[2-[(2,5,5-trimethylcyclohexyl)methoxy]ethyl]silane
CID 58770250
2-[[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-(2-methoxyprop-2-enyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]methoxy]ethyl-trimethylsilane
CID 15663110
methyl (3aR,6R,7R,7aS)-7-hydroxy-2,2-dimethyl-6-(2-trimethylsilylethoxymethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
CID 57413255
[(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium
CID 6943508
(3aR,4S,5R,6R,7R,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5,6,7-tetrol
CID 10398539
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
2-(fluoromethoxy)ethyl-trimethylsilane
CID 175695577
[(3S,4S,5R)-3-ethyl-4-hydroxy-5-(2-trimethylsilylethoxymethoxymethyl)piperidin-1-yl]-methylborinic acid
CID 140769765
2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane
CID 171778876
2-[(1-ethyl-5-methyl-4,5-dihydroimidazol-4-yl)methoxy]ethyl-trimethylsilane
CID 175517441

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol?
The IUPAC name of (4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol (CID 10572619) is (4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol.
What is the SMILES notation for (4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol?
The canonical SMILES for (4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol is CC1(C)O[C@@H](COCC[Si](C)(C)C)C(O)[C@H](COCC[Si](C)(C)C)O1.
What is the InChIKey of (4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol?
The InChIKey is XTKAPAWLNZHDOJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H40O5Si2/c1-18(2)22-15(13-20-9-11-24(3,4)5)17(19)16(23-18)14-21-10-12-25(6,7)8/h15-17,19H,9-14H2,1-8H3/t15-,16-/m0/s1.
What are the key properties of (4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol?
(4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol has a molecular weight of 392.69 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-2,2-dimethyl-4,6-bis(2-trimethylsilylethoxymethyl)-1,3-dioxan-5-ol is sourced from PubChem (CID 10572619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).