(5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol

C14H30OS — CID 57270834

IUPAC(5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol
SMILESCC(C)CC(O)[C@H](CC(C)C)SC(C)(C)C
InChIInChI=1S/C14H30OS/c1-10(2)8-12(15)13(9-11(3)4)16-14(5,6)7/h10-13,15H,8-9H2,1-7H3/t12?,13-/m0/s1
InChIKeyRUQRNQZDRJBUGT-ABLWVSNPSA-N
MW246.46 g/mol
LogP4.34
Rot. Bonds6

About (5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol

(5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol (PubChem CID 57270834) has the molecular formula C14H30OS and a molecular weight of 246.46 g/mol. Its IUPAC name is (5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol.

Molecular Properties

Compound Name(5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol
PubChem CID57270834
Molecular FormulaC14H30OS
Molecular Weight246.46 g/mol
Exact Mass246.20
IUPAC Name(5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol
SMILESCC(C)CC(O)[C@H](CC(C)C)SC(C)(C)C
InChIInChI=1S/C14H30OS/c1-10(2)8-12(15)13(9-11(3)4)16-14(5,6)7/h10-13,15H,8-9H2,1-7H3/t12?,13-/m0/s1
InChIKeyRUQRNQZDRJBUGT-ABLWVSNPSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol?
The IUPAC name of (5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol (CID 57270834) is (5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol.
What is the SMILES notation for (5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol?
The canonical SMILES for (5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol is CC(C)CC(O)[C@H](CC(C)C)SC(C)(C)C.
What is the InChIKey of (5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol?
The InChIKey is RUQRNQZDRJBUGT-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H30OS/c1-10(2)8-12(15)13(9-11(3)4)16-14(5,6)7/h10-13,15H,8-9H2,1-7H3/t12?,13-/m0/s1.
What are the key properties of (5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol?
(5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol has a molecular weight of 246.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tert-butylsulfanyl-2,7-dimethyloctan-4-ol is sourced from PubChem (CID 57270834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).