[(2R)-6-hydroxyhexan-2-yl] acetate

C8H16O3 — CID 54571277

IUPAC[(2R)-6-hydroxyhexan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCCCO
InChIInChI=1S/C8H16O3/c1-7(11-8(2)10)5-3-4-6-9/h7,9H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyZXKPHTVUWHNDBK-SSDOTTSWSA-N
MW160.21 g/mol
LogP1.10
Rot. Bonds5

About [(2R)-6-hydroxyhexan-2-yl] acetate

[(2R)-6-hydroxyhexan-2-yl] acetate (PubChem CID 54571277) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is [(2R)-6-hydroxyhexan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-6-hydroxyhexan-2-yl] acetate
PubChem CID54571277
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name[(2R)-6-hydroxyhexan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCCCO
InChIInChI=1S/C8H16O3/c1-7(11-8(2)10)5-3-4-6-9/h7,9H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyZXKPHTVUWHNDBK-SSDOTTSWSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 5-hydroxyhexanoate
CID 12429702
Acetic acid, 3-hydroxyheptyl ester
CID 38364
6-Hydroxy hexyl acetate
CID 11286615
O-Acetylsorbit
CID 15693526
Mannitol 1-acetate
CID 18605700
1,5-Hexanediol diacetate
CID 10608172
(1R,3R)-1,3-diacetoxy-5-hydroxy-cyclohexane
CID 11183526
1,5-Hexanediol, 1-acetate
CID 11081972
5-Hydroxynonyl acetate
CID 11127341
1,3-Cyclohexanediol, monoacetate, (1S,3R)-
CID 11636845
Ethyl (s)-5-hydroxyhexanoate
CID 12429703
[(1R,3S)-3-hydroxycyclohexyl] acetate
CID 16081046

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-hydroxyhexan-2-yl] acetate?
The IUPAC name of [(2R)-6-hydroxyhexan-2-yl] acetate (CID 54571277) is [(2R)-6-hydroxyhexan-2-yl] acetate.
What is the SMILES notation for [(2R)-6-hydroxyhexan-2-yl] acetate?
The canonical SMILES for [(2R)-6-hydroxyhexan-2-yl] acetate is CC(=O)O[C@H](C)CCCCO.
What is the InChIKey of [(2R)-6-hydroxyhexan-2-yl] acetate?
The InChIKey is ZXKPHTVUWHNDBK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(11-8(2)10)5-3-4-6-9/h7,9H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of [(2R)-6-hydroxyhexan-2-yl] acetate?
[(2R)-6-hydroxyhexan-2-yl] acetate has a molecular weight of 160.21 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-hydroxyhexan-2-yl] acetate is sourced from PubChem (CID 54571277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).