(3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol

C13H24OS2 — CID 79972462

IUPAC(3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol
SMILESCC1CC(C)CC(C(O)C2CSCCS2)C1
InChIInChI=1S/C13H24OS2/c1-9-5-10(2)7-11(6-9)13(14)12-8-15-3-4-16-12/h9-14H,3-8H2,1-2H3
InChIKeyULTVOEQXRANEMI-UHFFFAOYSA-N
MW260.47 g/mol
LogP3.27
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol

(3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol (PubChem CID 79972462) has the molecular formula C13H24OS2 and a molecular weight of 260.47 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol
PubChem CID79972462
Molecular FormulaC13H24OS2
Molecular Weight260.47 g/mol
Exact Mass260.13
IUPAC Name(3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol
SMILESCC1CC(C)CC(C(O)C2CSCCS2)C1
InChIInChI=1S/C13H24OS2/c1-9-5-10(2)7-11(6-9)13(14)12-8-15-3-4-16-12/h9-14H,3-8H2,1-2H3
InChIKeyULTVOEQXRANEMI-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dithian-2-yl-(4-methylcyclohexyl)methanol
CID 79973457
(3,5-dimethylcyclohexyl)-(3-methylcyclopentyl)methanol
CID 65402149
1-(1,4-dithian-2-yl)ethyl acetate
CID 174451330
3-(3,5-dimethylcyclohexyl)butan-2-ol
CID 79423302
1-(1,4-dithian-2-yl)-5-methylhexan-1-ol
CID 83161548
(3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine
CID 80621651
1-(3,5-dimethylcyclohexyl)propane-1,2-diol
CID 103452734
1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 79965964
1-(1,4-dithian-2-yl)hex-4-yn-1-ol
CID 104804088
(3,5-dimethylcyclohexyl)-(2-methylcyclopentyl)methanol
CID 107192400
cyclopentyl(1,4-dithian-2-yl)methanamine
CID 79972497
1,4-dithian-2-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 164650935

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol?
The IUPAC name of (3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol (CID 79972462) is (3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol is CC1CC(C)CC(C(O)C2CSCCS2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol?
The InChIKey is ULTVOEQXRANEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS2/c1-9-5-10(2)7-11(6-9)13(14)12-8-15-3-4-16-12/h9-14H,3-8H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol?
(3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol has a molecular weight of 260.47 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol is sourced from PubChem (CID 79972462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).