(2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol

C15H30O2S — CID 18642363

IUPAC(2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol
SMILESCC(C)SC[C@H](O)[C@H](O)CCCC1CCCCC1
InChIInChI=1S/C15H30O2S/c1-12(2)18-11-15(17)14(16)10-6-9-13-7-4-3-5-8-13/h12-17H,3-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyGKMVBDKCCZEPLV-CABCVRRESA-N
MW274.47 g/mol
LogP3.60
Rot. Bonds8

About (2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol

(2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol (PubChem CID 18642363) has the molecular formula C15H30O2S and a molecular weight of 274.47 g/mol. Its IUPAC name is (2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol
PubChem CID18642363
Molecular FormulaC15H30O2S
Molecular Weight274.47 g/mol
Exact Mass274.20
IUPAC Name(2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol
SMILESCC(C)SC[C@H](O)[C@H](O)CCCC1CCCCC1
InChIInChI=1S/C15H30O2S/c1-12(2)18-11-15(17)14(16)10-6-9-13-7-4-3-5-8-13/h12-17H,3-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyGKMVBDKCCZEPLV-CABCVRRESA-N
XLogP3.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol?
The IUPAC name of (2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol (CID 18642363) is (2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol.
What is the SMILES notation for (2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol?
The canonical SMILES for (2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol is CC(C)SC[C@H](O)[C@H](O)CCCC1CCCCC1.
What is the InChIKey of (2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol?
The InChIKey is GKMVBDKCCZEPLV-CABCVRRESA-N. The full InChI is InChI=1S/C15H30O2S/c1-12(2)18-11-15(17)14(16)10-6-9-13-7-4-3-5-8-13/h12-17H,3-11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol?
(2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol has a molecular weight of 274.47 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-6-cyclohexyl-1-propan-2-ylsulfanylhexane-2,3-diol is sourced from PubChem (CID 18642363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).