2,6-dihydroxyoctyl acetate

C10H20O4 — CID 58013533

IUPAC2,6-dihydroxyoctyl acetate
SMILESCCC(O)CCCC(O)COC(C)=O
InChIInChI=1S/C10H20O4/c1-3-9(12)5-4-6-10(13)7-14-8(2)11/h9-10,12-13H,3-7H2,1-2H3
InChIKeyVIANMAJHMIRPOS-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.85
Rot. Bonds7

About 2,6-dihydroxyoctyl acetate

2,6-dihydroxyoctyl acetate (PubChem CID 58013533) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,6-dihydroxyoctyl acetate.

Molecular Properties

Compound Name2,6-dihydroxyoctyl acetate
PubChem CID58013533
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2,6-dihydroxyoctyl acetate
SMILESCCC(O)CCCC(O)COC(C)=O
InChIInChI=1S/C10H20O4/c1-3-9(12)5-4-6-10(13)7-14-8(2)11/h9-10,12-13H,3-7H2,1-2H3
InChIKeyVIANMAJHMIRPOS-UHFFFAOYSA-N
XLogP0.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxytridecyl acetate
CID 170716401
(5-acetyloxy-4-hydroxypentyl) acetate
CID 74929582
(3-fluoro-2-hydroxypropyl) acetate
CID 130125053
nonane-3,7-diol
CID 22141483
sodium;ethoxyethane;hydride;2-hydroxyhexadecyl acetate
CID 173071438
(2-hydroxy-4-propoxybutyl) acetate
CID 121280529
(3-butan-2-yloxy-2-hydroxypropyl) acetate
CID 134215732
copper;2,3-dihydroxypropyl acetate
CID 175414462
2-hydroxyhexyl hydrogen carbonate
CID 87255598
7-methylnonan-3-ol
CID 64515833
4-hydroxyhexyl 2-hydroxypropanoate
CID 87122332
ethyl acetate;methanol
CID 173029748

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxyoctyl acetate?
The IUPAC name of 2,6-dihydroxyoctyl acetate (CID 58013533) is 2,6-dihydroxyoctyl acetate.
What is the SMILES notation for 2,6-dihydroxyoctyl acetate?
The canonical SMILES for 2,6-dihydroxyoctyl acetate is CCC(O)CCCC(O)COC(C)=O.
What is the InChIKey of 2,6-dihydroxyoctyl acetate?
The InChIKey is VIANMAJHMIRPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-9(12)5-4-6-10(13)7-14-8(2)11/h9-10,12-13H,3-7H2,1-2H3.
What are the key properties of 2,6-dihydroxyoctyl acetate?
2,6-dihydroxyoctyl acetate has a molecular weight of 204.27 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxyoctyl acetate is sourced from PubChem (CID 58013533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).