6-(1,3-dithian-2-yl)-2-methylhexan-3-ol

C11H22OS2 — CID 101412038

IUPAC6-(1,3-dithian-2-yl)-2-methylhexan-3-ol
SMILESCC(C)C(O)CCCC1SCCCS1
InChIInChI=1S/C11H22OS2/c1-9(2)10(12)5-3-6-11-13-7-4-8-14-11/h9-12H,3-8H2,1-2H3
InChIKeySQTSPHRKHDZFRB-UHFFFAOYSA-N
MW234.43 g/mol
LogP3.37
Rot. Bonds5

About 6-(1,3-dithian-2-yl)-2-methylhexan-3-ol

6-(1,3-dithian-2-yl)-2-methylhexan-3-ol (PubChem CID 101412038) has the molecular formula C11H22OS2 and a molecular weight of 234.43 g/mol. Its IUPAC name is 6-(1,3-dithian-2-yl)-2-methylhexan-3-ol.

Molecular Properties

Compound Name6-(1,3-dithian-2-yl)-2-methylhexan-3-ol
PubChem CID101412038
Molecular FormulaC11H22OS2
Molecular Weight234.43 g/mol
Exact Mass234.11
IUPAC Name6-(1,3-dithian-2-yl)-2-methylhexan-3-ol
SMILESCC(C)C(O)CCCC1SCCCS1
InChIInChI=1S/C11H22OS2/c1-9(2)10(12)5-3-6-11-13-7-4-8-14-11/h9-12H,3-8H2,1-2H3
InChIKeySQTSPHRKHDZFRB-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(1,3-dithian-2-yl)-2-methylhexan-3-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 6-(1,3-dithian-2-yl)-2-methylhexan-3-ol?
The IUPAC name of 6-(1,3-dithian-2-yl)-2-methylhexan-3-ol (CID 101412038) is 6-(1,3-dithian-2-yl)-2-methylhexan-3-ol.
What is the SMILES notation for 6-(1,3-dithian-2-yl)-2-methylhexan-3-ol?
The canonical SMILES for 6-(1,3-dithian-2-yl)-2-methylhexan-3-ol is CC(C)C(O)CCCC1SCCCS1.
What is the InChIKey of 6-(1,3-dithian-2-yl)-2-methylhexan-3-ol?
The InChIKey is SQTSPHRKHDZFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS2/c1-9(2)10(12)5-3-6-11-13-7-4-8-14-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 6-(1,3-dithian-2-yl)-2-methylhexan-3-ol?
6-(1,3-dithian-2-yl)-2-methylhexan-3-ol has a molecular weight of 234.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dithian-2-yl)-2-methylhexan-3-ol is sourced from PubChem (CID 101412038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).