(R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol

C11H20O3S2 — CID 135062102

IUPAC(R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol
SMILESO=[S@@]1CCC[S@@](=O)C1[C@H](O)C1CCCCC1
InChIInChI=1S/C11H20O3S2/c12-10(9-5-2-1-3-6-9)11-15(13)7-4-8-16(11)14/h9-12H,1-8H2/t10-,15-,16-/m1/s1
InChIKeyZDLVASURBZCKFB-UHNFBRDESA-N
MW264.41 g/mol
LogP1.15
Rot. Bonds2

About (R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol

(R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol (PubChem CID 135062102) has the molecular formula C11H20O3S2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol.

Molecular Properties

Compound Name(R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol
PubChem CID135062102
Molecular FormulaC11H20O3S2
Molecular Weight264.41 g/mol
Exact Mass264.09
IUPAC Name(R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol
SMILESO=[S@@]1CCC[S@@](=O)C1[C@H](O)C1CCCCC1
InChIInChI=1S/C11H20O3S2/c12-10(9-5-2-1-3-6-9)11-15(13)7-4-8-16(11)14/h9-12H,1-8H2/t10-,15-,16-/m1/s1
InChIKeyZDLVASURBZCKFB-UHNFBRDESA-N
XLogP1.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-cycloheptyl-2-hydroxyacetic acid
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cyclopentyl(piperidin-4-yl)methanol
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CID 59303636
cyclooctyl-(4-ethylcyclohexyl)methanol
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(S)-cyclohexyl-[(2S)-oxolan-2-yl]methanol
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CID 64749927

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol?
The IUPAC name of (R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol (CID 135062102) is (R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol.
What is the SMILES notation for (R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol?
The canonical SMILES for (R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol is O=[S@@]1CCC[S@@](=O)C1[C@H](O)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol?
The InChIKey is ZDLVASURBZCKFB-UHNFBRDESA-N. The full InChI is InChI=1S/C11H20O3S2/c12-10(9-5-2-1-3-6-9)11-15(13)7-4-8-16(11)14/h9-12H,1-8H2/t10-,15-,16-/m1/s1.
What are the key properties of (R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol?
(R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol has a molecular weight of 264.41 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol is sourced from PubChem (CID 135062102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).