(2-acetyloxy-6-hydroxyhexyl) acetate

C10H18O5 — CID 12014749

IUPAC(2-acetyloxy-6-hydroxyhexyl) acetate
SMILESCC(=O)OCC(CCCCO)OC(C)=O
InChIInChI=1S/C10H18O5/c1-8(12)14-7-10(15-9(2)13)5-3-4-6-11/h10-11H,3-7H2,1-2H3
InChIKeyFTCYGUSRCSCSFB-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.64
Rot. Bonds7

About (2-acetyloxy-6-hydroxyhexyl) acetate

(2-acetyloxy-6-hydroxyhexyl) acetate (PubChem CID 12014749) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2-acetyloxy-6-hydroxyhexyl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-6-hydroxyhexyl) acetate
PubChem CID12014749
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(2-acetyloxy-6-hydroxyhexyl) acetate
SMILESCC(=O)OCC(CCCCO)OC(C)=O
InChIInChI=1S/C10H18O5/c1-8(12)14-7-10(15-9(2)13)5-3-4-6-11/h10-11H,3-7H2,1-2H3
InChIKeyFTCYGUSRCSCSFB-UHFFFAOYSA-N
XLogP0.64
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5S)-2,5,6-triacetyloxyhexyl] acetate
CID 91758706
(2-acetyloxy-5-bromopentyl) acetate
CID 72961243
8-hydroxyoctan-3-yl acetate
CID 101015615
16-hydroxyhexadecan-8-yl acetate
CID 175427631
azane;2,3-diacetyloxypropyl acetate;hydrochloride
CID 173356168
[2-acetyloxy-3-[10-(chloromethoxy)decoxy]propyl] acetate;[2-acetyloxy-3-(10-hydroxydecoxy)propyl] acetate
CID 160889490
[2-acetyloxy-3-(3,8-diacetyloxydocosoxy)propyl] acetate
CID 175436595
6-hydroxyhexan-2-yl acetate
CID 15812148
(2-acetyloxy-3-trimethylsilyloxypropyl) acetate
CID 91709764
3-acetyloxy-9,10,16-trihydroxyhexadecanoic acid
CID 163015444
(1-acetyloxy-3-hydroxypropan-2-yl) 3,7-diacetyloxyoctadecanoate
CID 162881509
2,3-diacetyloxypropyl 2-methyltetradecanoate
CID 71388381

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-6-hydroxyhexyl) acetate?
The IUPAC name of (2-acetyloxy-6-hydroxyhexyl) acetate (CID 12014749) is (2-acetyloxy-6-hydroxyhexyl) acetate.
What is the SMILES notation for (2-acetyloxy-6-hydroxyhexyl) acetate?
The canonical SMILES for (2-acetyloxy-6-hydroxyhexyl) acetate is CC(=O)OCC(CCCCO)OC(C)=O.
What is the InChIKey of (2-acetyloxy-6-hydroxyhexyl) acetate?
The InChIKey is FTCYGUSRCSCSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-8(12)14-7-10(15-9(2)13)5-3-4-6-11/h10-11H,3-7H2,1-2H3.
What are the key properties of (2-acetyloxy-6-hydroxyhexyl) acetate?
(2-acetyloxy-6-hydroxyhexyl) acetate has a molecular weight of 218.25 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-6-hydroxyhexyl) acetate is sourced from PubChem (CID 12014749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).