(2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol

C18H38O2S2Si — CID 11079398

IUPAC(2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol
SMILESCC(C)[Si](OCC[C@@](C)(O)CC1SCCCS1)(C(C)C)C(C)C
InChIInChI=1S/C18H38O2S2Si/c1-14(2)23(15(3)4,16(5)6)20-10-9-18(7,19)13-17-21-11-8-12-22-17/h14-17,19H,8-13H2,1-7H3/t18-/m1/s1
InChIKeyKIMSXNKNAJUCLZ-GOSISDBHSA-N
MW378.72 g/mol
LogP5.91
Rot. Bonds9

About (2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol

(2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol (PubChem CID 11079398) has the molecular formula C18H38O2S2Si and a molecular weight of 378.72 g/mol. Its IUPAC name is (2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol
PubChem CID11079398
Molecular FormulaC18H38O2S2Si
Molecular Weight378.72 g/mol
Exact Mass378.21
IUPAC Name(2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol
SMILESCC(C)[Si](OCC[C@@](C)(O)CC1SCCCS1)(C(C)C)C(C)C
InChIInChI=1S/C18H38O2S2Si/c1-14(2)23(15(3)4,16(5)6)20-10-9-18(7,19)13-17-21-11-8-12-22-17/h14-17,19H,8-13H2,1-7H3/t18-/m1/s1
InChIKeyKIMSXNKNAJUCLZ-GOSISDBHSA-N
XLogP5.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.72
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol?
The IUPAC name of (2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol (CID 11079398) is (2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol.
What is the SMILES notation for (2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol?
The canonical SMILES for (2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol is CC(C)[Si](OCC[C@@](C)(O)CC1SCCCS1)(C(C)C)C(C)C.
What is the InChIKey of (2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol?
The InChIKey is KIMSXNKNAJUCLZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H38O2S2Si/c1-14(2)23(15(3)4,16(5)6)20-10-9-18(7,19)13-17-21-11-8-12-22-17/h14-17,19H,8-13H2,1-7H3/t18-/m1/s1.
What are the key properties of (2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol?
(2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol has a molecular weight of 378.72 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-dithian-2-yl)-2-methyl-4-tri(propan-2-yl)silyloxybutan-2-ol is sourced from PubChem (CID 11079398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).