(2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol

C16H34O2S2Si — CID 11515848

IUPAC(2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol
SMILESC[C@@H](O)CC1(CCCO[Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C16H34O2S2Si/c1-14(17)13-16(19-11-8-12-20-16)9-7-10-18-21(5,6)15(2,3)4/h14,17H,7-13H2,1-6H3/t14-/m1/s1
InChIKeySWASWELOFWTYNE-CQSZACIVSA-N
MW350.67 g/mol
LogP5.13
Rot. Bonds7

About (2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol

(2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol (PubChem CID 11515848) has the molecular formula C16H34O2S2Si and a molecular weight of 350.67 g/mol. Its IUPAC name is (2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol
PubChem CID11515848
Molecular FormulaC16H34O2S2Si
Molecular Weight350.67 g/mol
Exact Mass350.18
IUPAC Name(2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol
SMILESC[C@@H](O)CC1(CCCO[Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C16H34O2S2Si/c1-14(17)13-16(19-11-8-12-20-16)9-7-10-18-21(5,6)15(2,3)4/h14,17H,7-13H2,1-6H3/t14-/m1/s1
InChIKeySWASWELOFWTYNE-CQSZACIVSA-N
XLogP5.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.67
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol (CID 11515848) is (2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol is C[C@@H](O)CC1(CCCO[Si](C)(C)C(C)(C)C)SCCCS1.
What is the InChIKey of (2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol?
The InChIKey is SWASWELOFWTYNE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H34O2S2Si/c1-14(17)13-16(19-11-8-12-20-16)9-7-10-18-21(5,6)15(2,3)4/h14,17H,7-13H2,1-6H3/t14-/m1/s1.
What are the key properties of (2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol?
(2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol has a molecular weight of 350.67 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-dithian-2-yl]propan-2-ol is sourced from PubChem (CID 11515848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).