6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate

C15H30O7 — CID 18471853

IUPAC6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OCCCCCCO.O=C(O)CCCCCO
InChIInChI=1S/C9H18O4.C6H12O3/c1-8(11)9(12)13-7-5-3-2-4-6-10;7-5-3-1-2-4-6(8)9/h8,10-11H,2-7H2,1H3;7H,1-5H2,(H,8,9)
InChIKeyBEYXCIUUNNBRFG-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.09
Rot. Bonds12

About 6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate

6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate (PubChem CID 18471853) has the molecular formula C15H30O7 and a molecular weight of 322.40 g/mol. Its IUPAC name is 6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate.

Molecular Properties

Compound Name6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate
PubChem CID18471853
Molecular FormulaC15H30O7
Molecular Weight322.40 g/mol
Exact Mass322.20
IUPAC Name6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OCCCCCCO.O=C(O)CCCCCO
InChIInChI=1S/C9H18O4.C6H12O3/c1-8(11)9(12)13-7-5-3-2-4-6-10;7-5-3-1-2-4-6(8)9/h8,10-11H,2-7H2,1H3;7H,1-5H2,(H,8,9)
InChIKeyBEYXCIUUNNBRFG-UHFFFAOYSA-N
XLogP1.09
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(6-hydroxyhexanoyloxy)pentanoic acid
CID 87986375
15-(15-hydroxypentadecanoyloxy)pentadecanoic acid
CID 5204801
6-[6-[6-[6-[6-[6-[6-[6-[6-(6-hydroxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoic acid
CID 88979293
8-(7-hydroxyheptoxy)-8-oxooctanoic acid
CID 162853093
7-(7-hydroxyheptanoyloxy)heptanoic acid
CID 90997926
10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate
CID 155272403
bis(bis(4-hydroxybutyl) butanedioate);hexanedioic acid
CID 174534613
6-(6,12-dihydroxydodecanoyloxy)hexanoic acid
CID 87377073
16-hydroxyhexadecyl 2-methylpropanoate
CID 134918438
12-hydroxydodecyl 2-methylpropanoate
CID 15120440
butanoic acid;butyl 2-hydroxypropanoate
CID 87633857
ethane;6-hydroxyhexanoic acid
CID 87459132

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate?
The IUPAC name of 6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate (CID 18471853) is 6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate.
What is the SMILES notation for 6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate?
The canonical SMILES for 6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate is CC(O)C(=O)OCCCCCCO.O=C(O)CCCCCO.
What is the InChIKey of 6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate?
The InChIKey is BEYXCIUUNNBRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4.C6H12O3/c1-8(11)9(12)13-7-5-3-2-4-6-10;7-5-3-1-2-4-6(8)9/h8,10-11H,2-7H2,1H3;7H,1-5H2,(H,8,9).
What are the key properties of 6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate?
6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate has a molecular weight of 322.40 g/mol, XLogP of 1.09, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate is sourced from PubChem (CID 18471853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).