[(1S,3R)-3-hydroxycyclohexyl] acetate

C8H14O3 — CID 11636845

IUPAC[(1S,3R)-3-hydroxycyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C8H14O3/c1-6(9)11-8-4-2-3-7(10)5-8/h7-8,10H,2-5H2,1H3/t7-,8+/m1/s1
InChIKeyKKGVEAWZDIBQMT-SFYZADRCSA-N
MW158.20 g/mol
LogP0.85
Rot. Bonds1

About [(1S,3R)-3-hydroxycyclohexyl] acetate

[(1S,3R)-3-hydroxycyclohexyl] acetate (PubChem CID 11636845) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(1S,3R)-3-hydroxycyclohexyl] acetate.

Molecular Properties

Compound Name[(1S,3R)-3-hydroxycyclohexyl] acetate
PubChem CID11636845
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(1S,3R)-3-hydroxycyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C8H14O3/c1-6(9)11-8-4-2-3-7(10)5-8/h7-8,10H,2-5H2,1H3/t7-,8+/m1/s1
InChIKeyKKGVEAWZDIBQMT-SFYZADRCSA-N
XLogP0.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethoxycyclohexan-1-ol
CID 79619013
3-(Acetyloxy)cyclohexyl acetate
CID 245567
[(1S,2S,3S)-2,3-dihydroxycyclohexyl] acetate
CID 11008415
(1R,3R)-1,3-diacetoxy-5-hydroxy-cyclohexane
CID 11183526
Cyclohexane-1,3,5-triyl triacetate
CID 11207626
(1R,3S)-Cyclohexane-1,3-diyl diacetate
CID 14172810
1,3-Cyclohexanediol, diacetate, trans-
CID 67364650
1,5-Hexanediol, 1-acetate
CID 11081972
[(1R,3R)-3-acetyloxycyclohexyl] acetate
CID 14172811
[(1R,3S)-3-hydroxycyclohexyl] acetate
CID 16081046
(2,3,4,5,6-Pentahydroxycyclohexyl) acetate
CID 19814832
5-(R)-acetoxy-1-hydroxyhexane
CID 54571277

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-hydroxycyclohexyl] acetate?
The IUPAC name of [(1S,3R)-3-hydroxycyclohexyl] acetate (CID 11636845) is [(1S,3R)-3-hydroxycyclohexyl] acetate.
What is the SMILES notation for [(1S,3R)-3-hydroxycyclohexyl] acetate?
The canonical SMILES for [(1S,3R)-3-hydroxycyclohexyl] acetate is CC(=O)O[C@H]1CCC[C@@H](O)C1.
What is the InChIKey of [(1S,3R)-3-hydroxycyclohexyl] acetate?
The InChIKey is KKGVEAWZDIBQMT-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(9)11-8-4-2-3-7(10)5-8/h7-8,10H,2-5H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(1S,3R)-3-hydroxycyclohexyl] acetate?
[(1S,3R)-3-hydroxycyclohexyl] acetate has a molecular weight of 158.20 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-hydroxycyclohexyl] acetate is sourced from PubChem (CID 11636845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).