(2R)-1-tert-butylsulfanyloctan-2-ol

C12H26OS — CID 10856971

IUPAC(2R)-1-tert-butylsulfanyloctan-2-ol
SMILESCCCCCC[C@@H](O)CSC(C)(C)C
InChIInChI=1S/C12H26OS/c1-5-6-7-8-9-11(13)10-14-12(2,3)4/h11,13H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyWISSMYQJNIOHDC-LLVKDONJSA-N
MW218.41 g/mol
LogP3.85
Rot. Bonds7

About (2R)-1-tert-butylsulfanyloctan-2-ol

(2R)-1-tert-butylsulfanyloctan-2-ol (PubChem CID 10856971) has the molecular formula C12H26OS and a molecular weight of 218.41 g/mol. Its IUPAC name is (2R)-1-tert-butylsulfanyloctan-2-ol.

Molecular Properties

Compound Name(2R)-1-tert-butylsulfanyloctan-2-ol
PubChem CID10856971
Molecular FormulaC12H26OS
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name(2R)-1-tert-butylsulfanyloctan-2-ol
SMILESCCCCCC[C@@H](O)CSC(C)(C)C
InChIInChI=1S/C12H26OS/c1-5-6-7-8-9-11(13)10-14-12(2,3)4/h11,13H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyWISSMYQJNIOHDC-LLVKDONJSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octadecane-8,11-diol
CID 101412726
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
1-propylsulfanyloctan-2-ol
CID 65130128
octane-1,2-diol
CID 159791136
(2R)-octane-1,2-diol
CID 6994435

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butylsulfanyloctan-2-ol?
The IUPAC name of (2R)-1-tert-butylsulfanyloctan-2-ol (CID 10856971) is (2R)-1-tert-butylsulfanyloctan-2-ol.
What is the SMILES notation for (2R)-1-tert-butylsulfanyloctan-2-ol?
The canonical SMILES for (2R)-1-tert-butylsulfanyloctan-2-ol is CCCCCC[C@@H](O)CSC(C)(C)C.
What is the InChIKey of (2R)-1-tert-butylsulfanyloctan-2-ol?
The InChIKey is WISSMYQJNIOHDC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H26OS/c1-5-6-7-8-9-11(13)10-14-12(2,3)4/h11,13H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-1-tert-butylsulfanyloctan-2-ol?
(2R)-1-tert-butylsulfanyloctan-2-ol has a molecular weight of 218.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butylsulfanyloctan-2-ol is sourced from PubChem (CID 10856971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).