trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol

C8H16O3 — CID 130991462

IUPACtrans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol
SMILESOCC[C@]1(O)CCCC[C@@H]1O
InChIInChI=1S/C8H16O3/c9-6-5-8(11)4-2-1-3-7(8)10/h7,9-11H,1-6H2/t7-,8+/m0/s1
InChIKeyWGRIEJJMAKLIFO-JGVFFNPUSA-N
MW160.21 g/mol
LogP0.03
Rot. Bonds2

About trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol

trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol (PubChem CID 130991462) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol
PubChem CID130991462
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nametrans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol
SMILESOCC[C@]1(O)CCCC[C@@H]1O
InChIInChI=1S/C8H16O3/c9-6-5-8(11)4-2-1-3-7(8)10/h7,9-11H,1-6H2/t7-,8+/m0/s1
InChIKeyWGRIEJJMAKLIFO-JGVFFNPUSA-N
XLogP0.03
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-propylcyclodecane-1,2-diol
CID 173377333
methyl 2-[(1R,2R)-1,2-dihydroxycyclohexyl]acetate
CID 11600811
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
2-(1,2-dihydroxycyclopentyl)acetonitrile
CID 130142856
2-[1-(2-hydroxyethyl)cyclononadecyl]ethanol
CID 150954870
2-[1-(2-hydroxyethyl)cyclodecyl]ethanol
CID 18618783
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
2-(1-cyclohexylcyclohexyl)ethanol
CID 174399046
trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 98010257
trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol
CID 101024510
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol?
The IUPAC name of trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol (CID 130991462) is trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol.
What is the SMILES notation for trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol?
The canonical SMILES for trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol is OCC[C@]1(O)CCCC[C@@H]1O.
What is the InChIKey of trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol?
The InChIKey is WGRIEJJMAKLIFO-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16O3/c9-6-5-8(11)4-2-1-3-7(8)10/h7,9-11H,1-6H2/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol?
trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol has a molecular weight of 160.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol is sourced from PubChem (CID 130991462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).