(3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol

C11H26O4Si2 — CID 173277888

IUPAC(3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol
SMILESC[SiH2]OC(O[SiH2]C)C(C)(C)[C@@H]1CCOC1(C)O
InChIInChI=1S/C11H26O4Si2/c1-10(2,9(14-16-4)15-17-5)8-6-7-13-11(8,3)12/h8-9,12H,6-7,16-17H2,1-5H3/t8-,11?/m0/s1
InChIKeyDDEPYABLHFEFBG-YMNIQAILSA-N
MW278.50 g/mol
LogP0.38
Rot. Bonds6

About (3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol

(3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol (PubChem CID 173277888) has the molecular formula C11H26O4Si2 and a molecular weight of 278.50 g/mol. Its IUPAC name is (3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol.

Molecular Properties

Compound Name(3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol
PubChem CID173277888
Molecular FormulaC11H26O4Si2
Molecular Weight278.50 g/mol
Exact Mass278.14
IUPAC Name(3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol
SMILESC[SiH2]OC(O[SiH2]C)C(C)(C)[C@@H]1CCOC1(C)O
InChIInChI=1S/C11H26O4Si2/c1-10(2,9(14-16-4)15-17-5)8-6-7-13-11(8,3)12/h8-9,12H,6-7,16-17H2,1-5H3/t8-,11?/m0/s1
InChIKeyDDEPYABLHFEFBG-YMNIQAILSA-N
XLogP0.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.50
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,3S)-2-(hydroxymethyl)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]pyrrolidine-1-carboxylate
CID 173130040
(3S)-2-methyloxolane-2,3-diol
CID 134855830
(3S)-2-methyl-3-phosphanyloxyoxolan-2-ol
CID 118151835
CID 58183500
CID 58183500
(2S,4S)-2-tert-butyl-3,3-difluorooxane-2,4-diol
CID 132603402
[(3S)-2,2-dimethyloxolan-3-yl]hydrazine
CID 125181041
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one
CID 166842958
2,2-difluoro-3-propan-2-yloxolane;ethane
CID 170792272
2,3-dimethyl-1,4-oxathian-2-ol
CID 58183588
2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide
CID 107472621
(2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide
CID 83033449

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol?
The IUPAC name of (3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol (CID 173277888) is (3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol.
What is the SMILES notation for (3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol?
The canonical SMILES for (3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol is C[SiH2]OC(O[SiH2]C)C(C)(C)[C@@H]1CCOC1(C)O.
What is the InChIKey of (3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol?
The InChIKey is DDEPYABLHFEFBG-YMNIQAILSA-N. The full InChI is InChI=1S/C11H26O4Si2/c1-10(2,9(14-16-4)15-17-5)8-6-7-13-11(8,3)12/h8-9,12H,6-7,16-17H2,1-5H3/t8-,11?/m0/s1.
What are the key properties of (3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol?
(3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol has a molecular weight of 278.50 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-[2-methyl-1,1-bis(methylsilyloxy)propan-2-yl]oxolan-2-ol is sourced from PubChem (CID 173277888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).