(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol

C17H36O2S2Si — CID 11187658

IUPAC(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol
SMILESCCC1(C[C@](O)(CC)CO[Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C17H36O2S2Si/c1-8-16(18,14-19-22(6,7)15(3,4)5)13-17(9-2)20-11-10-12-21-17/h18H,8-14H2,1-7H3/t16-/m1/s1
InChIKeySXOJHRWHSDDQBW-MRXNPFEDSA-N
MW364.69 g/mol
LogP5.52
Rot. Bonds7

About (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol

(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol (PubChem CID 11187658) has the molecular formula C17H36O2S2Si and a molecular weight of 364.69 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol
PubChem CID11187658
Molecular FormulaC17H36O2S2Si
Molecular Weight364.69 g/mol
Exact Mass364.19
IUPAC Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol
SMILESCCC1(C[C@](O)(CC)CO[Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C17H36O2S2Si/c1-8-16(18,14-19-22(6,7)15(3,4)5)13-17(9-2)20-11-10-12-21-17/h18H,8-14H2,1-7H3/t16-/m1/s1
InChIKeySXOJHRWHSDDQBW-MRXNPFEDSA-N
XLogP5.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.69
LogP ≤ 55.52
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

CID 11079398
CID 11079398
CID 21672702
CID 21672702
CID 101572887
CID 101572887
CID 101766603
CID 101766603
CID 139087138
CID 139087138

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol (CID 11187658) is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol is CCC1(C[C@](O)(CC)CO[Si](C)(C)C(C)(C)C)SCCCS1.
What is the InChIKey of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol?
The InChIKey is SXOJHRWHSDDQBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H36O2S2Si/c1-8-16(18,14-19-22(6,7)15(3,4)5)13-17(9-2)20-11-10-12-21-17/h18H,8-14H2,1-7H3/t16-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol?
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol has a molecular weight of 364.69 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-ethyl-1,3-dithian-2-yl)methyl]butan-2-ol is sourced from PubChem (CID 11187658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).