(1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol

C16H32O4Si — CID 10969136

IUPAC(1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESCC(C)[Si](O[C@@H]1[C@H]2OC[C@H](O2)[C@H](C)[C@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C16H32O4Si/c1-9(2)21(10(3)4,11(5)6)20-15-14(17)12(7)13-8-18-16(15)19-13/h9-17H,8H2,1-7H3/t12-,13-,14+,15-,16-/m0/s1
InChIKeyYCNNLLRGMBVIEA-QMHWVQJVSA-N
MW316.51 g/mol
LogP3.30
Rot. Bonds5

About (1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol

(1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 10969136) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID10969136
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESCC(C)[Si](O[C@@H]1[C@H]2OC[C@H](O2)[C@H](C)[C@H]1O)(C(C)C)C(C)C
InChIInChI=1S/C16H32O4Si/c1-9(2)21(10(3)4,11(5)6)20-15-14(17)12(7)13-8-18-16(15)19-13/h9-17H,8H2,1-7H3/t12-,13-,14+,15-,16-/m0/s1
InChIKeyYCNNLLRGMBVIEA-QMHWVQJVSA-N
XLogP3.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,3R,4S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 131176478
(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 11254343
(1S,2S,5S,6S,7R)-2,5,7-trimethyl-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-ol
CID 11255876
(1R,2R,3R,4S,5S)-2,3,4-trimethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 99734634
(1R)-1-[(2S,5R)-5-hydroxy-3,4-bis[tri(propan-2-yl)silyloxy]oxolan-2-yl]ethane-1,2-diol
CID 164669996
[(1S,2R,3R,4S,5S)-4-acetyloxy-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 51346406
(1R,2S,3R,4S,5R)-4-iodo-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 126969579
[(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane
CID 134974170
2-propan-2-yl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 171620800
(2R,4S,5S)-2-methylphosphanyloxy-6,8-dioxabicyclo[3.2.1]octane-3,4-diol
CID 59042905
4-methyl-2,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 171562837
(1R,2R,4R,5R,6S)-3,8,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
CID 98289950

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 10969136) is (1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol is CC(C)[Si](O[C@@H]1[C@H]2OC[C@H](O2)[C@H](C)[C@H]1O)(C(C)C)C(C)C.
What is the InChIKey of (1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is YCNNLLRGMBVIEA-QMHWVQJVSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-9(2)21(10(3)4,11(5)6)20-15-14(17)12(7)13-8-18-16(15)19-13/h9-17H,8H2,1-7H3/t12-,13-,14+,15-,16-/m0/s1.
What are the key properties of (1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
(1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 316.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 10969136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).