1,4-dithian-2-yl-(4-methylcyclohexyl)methanol

C12H22OS2 — CID 79973457

IUPAC1,4-dithian-2-yl-(4-methylcyclohexyl)methanol
SMILESCC1CCC(C(O)C2CSCCS2)CC1
InChIInChI=1S/C12H22OS2/c1-9-2-4-10(5-3-9)12(13)11-8-14-6-7-15-11/h9-13H,2-8H2,1H3
InChIKeyJCDSDPREGDEMHC-UHFFFAOYSA-N
MW246.44 g/mol
LogP3.02
Rot. Bonds2

About 1,4-dithian-2-yl-(4-methylcyclohexyl)methanol

1,4-dithian-2-yl-(4-methylcyclohexyl)methanol (PubChem CID 79973457) has the molecular formula C12H22OS2 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,4-dithian-2-yl-(4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name1,4-dithian-2-yl-(4-methylcyclohexyl)methanol
PubChem CID79973457
Molecular FormulaC12H22OS2
Molecular Weight246.44 g/mol
Exact Mass246.11
IUPAC Name1,4-dithian-2-yl-(4-methylcyclohexyl)methanol
SMILESCC1CCC(C(O)C2CSCCS2)CC1
InChIInChI=1S/C12H22OS2/c1-9-2-4-10(5-3-9)12(13)11-8-14-6-7-15-11/h9-13H,2-8H2,1H3
InChIKeyJCDSDPREGDEMHC-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol
CID 79972462
cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345165
cyclopentyl(1,4-dithian-2-yl)methanamine
CID 79972497
cycloheptyl(1,4-dithian-2-yl)methanamine
CID 82932305
1-[hydroxy(thiolan-3-yl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 107133776
(4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol
CID 123819677
(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105153829
N-[(3,4-dimethylcyclohexyl)-(1,4-dithian-2-yl)methyl]propan-1-amine
CID 79966234
1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105102503
(4-methylcyclohexyl)-piperidin-4-ylmethanol
CID 80560052
1-(1,4-dithian-2-yl)-5-methylhexan-1-ol
CID 83161548
N-(1,4-dithian-2-ylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 115868552

Frequently Asked Questions

What is the IUPAC name of 1,4-dithian-2-yl-(4-methylcyclohexyl)methanol?
The IUPAC name of 1,4-dithian-2-yl-(4-methylcyclohexyl)methanol (CID 79973457) is 1,4-dithian-2-yl-(4-methylcyclohexyl)methanol.
What is the SMILES notation for 1,4-dithian-2-yl-(4-methylcyclohexyl)methanol?
The canonical SMILES for 1,4-dithian-2-yl-(4-methylcyclohexyl)methanol is CC1CCC(C(O)C2CSCCS2)CC1.
What is the InChIKey of 1,4-dithian-2-yl-(4-methylcyclohexyl)methanol?
The InChIKey is JCDSDPREGDEMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS2/c1-9-2-4-10(5-3-9)12(13)11-8-14-6-7-15-11/h9-13H,2-8H2,1H3.
What are the key properties of 1,4-dithian-2-yl-(4-methylcyclohexyl)methanol?
1,4-dithian-2-yl-(4-methylcyclohexyl)methanol has a molecular weight of 246.44 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithian-2-yl-(4-methylcyclohexyl)methanol is sourced from PubChem (CID 79973457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).