(1-hydroxy-6-methoxyhexan-2-yl) acetate

C9H18O4 — CID 58841527

IUPAC(1-hydroxy-6-methoxyhexan-2-yl) acetate
SMILESCOCCCCC(CO)OC(C)=O
InChIInChI=1S/C9H18O4/c1-8(11)13-9(7-10)5-3-4-6-12-2/h9-10H,3-7H2,1-2H3
InChIKeyKZSDTVXSMYFYGW-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.73
Rot. Bonds7

About (1-hydroxy-6-methoxyhexan-2-yl) acetate

(1-hydroxy-6-methoxyhexan-2-yl) acetate (PubChem CID 58841527) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1-hydroxy-6-methoxyhexan-2-yl) acetate.

Molecular Properties

Compound Name(1-hydroxy-6-methoxyhexan-2-yl) acetate
PubChem CID58841527
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(1-hydroxy-6-methoxyhexan-2-yl) acetate
SMILESCOCCCCC(CO)OC(C)=O
InChIInChI=1S/C9H18O4/c1-8(11)13-9(7-10)5-3-4-6-12-2/h9-10H,3-7H2,1-2H3
InChIKeyKZSDTVXSMYFYGW-UHFFFAOYSA-N
XLogP0.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate
CID 130694563
2,6-dimethoxyhexan-1-ol
CID 152602775
[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
CID 102354775
8-hydroxyoctan-3-yl acetate
CID 101015615
16-hydroxyhexadecan-8-yl acetate
CID 175427631
(2-acetyloxy-6-hydroxyhexyl) acetate
CID 12014749
[(3S)-nonan-3-yl] acetate
CID 76967958
methane;4-methoxybutyl acetate
CID 160669604
[(4R)-4-acetyloxydecyl] acetate
CID 87160095
[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate
CID 11805240
1,3-dihydroxypropan-2-yl 3-acetyloxy-8-hydroxyoctadecanoate
CID 163041270
1-(2,3-dihydroxypropoxy)heptadecan-2-yl acetate
CID 71438623

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-6-methoxyhexan-2-yl) acetate?
The IUPAC name of (1-hydroxy-6-methoxyhexan-2-yl) acetate (CID 58841527) is (1-hydroxy-6-methoxyhexan-2-yl) acetate.
What is the SMILES notation for (1-hydroxy-6-methoxyhexan-2-yl) acetate?
The canonical SMILES for (1-hydroxy-6-methoxyhexan-2-yl) acetate is COCCCCC(CO)OC(C)=O.
What is the InChIKey of (1-hydroxy-6-methoxyhexan-2-yl) acetate?
The InChIKey is KZSDTVXSMYFYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-8(11)13-9(7-10)5-3-4-6-12-2/h9-10H,3-7H2,1-2H3.
What are the key properties of (1-hydroxy-6-methoxyhexan-2-yl) acetate?
(1-hydroxy-6-methoxyhexan-2-yl) acetate has a molecular weight of 190.24 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-6-methoxyhexan-2-yl) acetate is sourced from PubChem (CID 58841527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).