(4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol

C11H20OS2 — CID 11241764

IUPAC(4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol
SMILESCC(=C1SCCCS1)[C@H](C)CC(C)O
InChIInChI=1S/C11H20OS2/c1-8(7-9(2)12)10(3)11-13-5-4-6-14-11/h8-9,12H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyNMXGFHUEZINKIH-VEDVMXKPSA-N
MW232.41 g/mol
LogP3.49
Rot. Bonds3

About (4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol

(4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol (PubChem CID 11241764) has the molecular formula C11H20OS2 and a molecular weight of 232.41 g/mol. Its IUPAC name is (4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol.

Molecular Properties

Compound Name(4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol
PubChem CID11241764
Molecular FormulaC11H20OS2
Molecular Weight232.41 g/mol
Exact Mass232.10
IUPAC Name(4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol
SMILESCC(=C1SCCCS1)[C@H](C)CC(C)O
InChIInChI=1S/C11H20OS2/c1-8(7-9(2)12)10(3)11-13-5-4-6-14-11/h8-9,12H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyNMXGFHUEZINKIH-VEDVMXKPSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2S,3R)-1-(1,3-dithian-2-ylidene)-2-methylheptan-3-ol
CID 10422053
(2S)-4-(1,3-dithian-2-ylidene)-2-methylpentan-1-ol
CID 13662162
(2R,3S)-1-(1,3-dithian-2-ylidene)-2-methylheptan-3-ol
CID 10263973
(2S,3R)-6-(1,3-dithian-2-ylidene)-2-ethylheptane-1,3-diol
CID 10850100
(3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol
CID 11086915
(3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol
CID 11378984
(2S,3R)-2-methyl-1-(2-methyl-1,3-dithian-2-yl)hex-5-en-3-ol
CID 12000575
6-(1,3-Dithian-2-ylidene)-2-methylheptan-3-ol
CID 13703705
1-(1,3-Dithian-2-ylidene)-2-methylhexan-3-ol
CID 13741388
4-(1,3-Dithian-2-ylidene)pentan-1-ol
CID 71334589
4-(1,3-Dithian-2-ylidene)-3-methylpentan-1-ol
CID 72824076
5-(1,3-Dithian-2-ylidene)-4-methylhexan-1-ol
CID 101197899

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol?
The IUPAC name of (4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol (CID 11241764) is (4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol.
What is the SMILES notation for (4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol?
The canonical SMILES for (4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol is CC(=C1SCCCS1)[C@H](C)CC(C)O.
What is the InChIKey of (4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol?
The InChIKey is NMXGFHUEZINKIH-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H20OS2/c1-8(7-9(2)12)10(3)11-13-5-4-6-14-11/h8-9,12H,4-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of (4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol?
(4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol has a molecular weight of 232.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol is sourced from PubChem (CID 11241764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).