4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol

C15H30O2SSi — CID 10380216

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)CC1=CCCCS1
InChIInChI=1S/C15H30O2SSi/c1-15(2,3)19(4,5)17-10-9-13(16)12-14-8-6-7-11-18-14/h8,13,16H,6-7,9-12H2,1-5H3
InChIKeyDYWFDQDJTXTNDV-UHFFFAOYSA-N
MW302.56 g/mol
LogP4.56
Rot. Bonds6

About 4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol

4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol (PubChem CID 10380216) has the molecular formula C15H30O2SSi and a molecular weight of 302.56 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol
PubChem CID10380216
Molecular FormulaC15H30O2SSi
Molecular Weight302.56 g/mol
Exact Mass302.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)CC1=CCCCS1
InChIInChI=1S/C15H30O2SSi/c1-15(2,3)19(4,5)17-10-9-13(16)12-14-8-6-7-11-18-14/h8,13,16H,6-7,9-12H2,1-5H3
InChIKeyDYWFDQDJTXTNDV-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol
CID 101394701
(E)-1-(1,3-dithian-2-yl)-4-(trimethylsilylmethyl)hex-4-en-2-ol
CID 102352125
4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butan-1-ol
CID 10064508

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol (CID 10380216) is 4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol is CC(C)(C)[Si](C)(C)OCCC(O)CC1=CCCCS1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol?
The InChIKey is DYWFDQDJTXTNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2SSi/c1-15(2,3)19(4,5)17-10-9-13(16)12-14-8-6-7-11-18-14/h8,13,16H,6-7,9-12H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol has a molecular weight of 302.56 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)butan-2-ol is sourced from PubChem (CID 10380216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).