10-(1-hydroxybutoxy)-10-oxodecanoate

C14H25O5- — CID 18183031

IUPAC10-(1-hydroxybutoxy)-10-oxodecanoate
SMILESCCCC(O)OC(=O)CCCCCCCCC(=O)[O-]
InChIInChI=1S/C14H26O5/c1-2-9-13(17)19-14(18)11-8-6-4-3-5-7-10-12(15)16/h13,17H,2-11H2,1H3,(H,15,16)/p-1
InChIKeyCQMHNGHNRUPMKY-UHFFFAOYSA-M
MW273.35 g/mol
LogP1.52
Rot. Bonds12

About 10-(1-hydroxybutoxy)-10-oxodecanoate

10-(1-hydroxybutoxy)-10-oxodecanoate (PubChem CID 18183031) has the molecular formula C14H25O5- and a molecular weight of 273.35 g/mol. Its IUPAC name is 10-(1-hydroxybutoxy)-10-oxodecanoate.

Molecular Properties

Compound Name10-(1-hydroxybutoxy)-10-oxodecanoate
PubChem CID18183031
Molecular FormulaC14H25O5-
Molecular Weight273.35 g/mol
Exact Mass273.17
IUPAC Name10-(1-hydroxybutoxy)-10-oxodecanoate
SMILESCCCC(O)OC(=O)CCCCCCCCC(=O)[O-]
InChIInChI=1S/C14H26O5/c1-2-9-13(17)19-14(18)11-8-6-4-3-5-7-10-12(15)16/h13,17H,2-11H2,1H3,(H,15,16)/p-1
InChIKeyCQMHNGHNRUPMKY-UHFFFAOYSA-M
XLogP1.52
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(1-hydroxybutyl) hexanedioate
CID 88811322
1-hydroxybutyl tetradecanoate
CID 141075613
1-hydroxybutyl 6-hydroxyhexanoate
CID 87263583
13-hexadecanoyloxyoctadecanoate
CID 86290203
1-hydroxybutyl hexanoate;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 19805212
1-hydroxypropyl tetradecanoate
CID 20514336
1-hydroxypropyl icosanoate
CID 155673375
1-hydroxypropyl hexadecanoate
CID 20514368
potassium 15-hydroxyoctadecanoate
CID 101326197
sodium 15-hydroxyoctadecanoate
CID 101326210
1-hydroxyhexyl (Z)-octadec-9-enoate
CID 88844535
decanoate;2,3-di(octanoyloxy)propyl octanoate
CID 131739815

Frequently Asked Questions

What is the IUPAC name of 10-(1-hydroxybutoxy)-10-oxodecanoate?
The IUPAC name of 10-(1-hydroxybutoxy)-10-oxodecanoate (CID 18183031) is 10-(1-hydroxybutoxy)-10-oxodecanoate.
What is the SMILES notation for 10-(1-hydroxybutoxy)-10-oxodecanoate?
The canonical SMILES for 10-(1-hydroxybutoxy)-10-oxodecanoate is CCCC(O)OC(=O)CCCCCCCCC(=O)[O-].
What is the InChIKey of 10-(1-hydroxybutoxy)-10-oxodecanoate?
The InChIKey is CQMHNGHNRUPMKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H26O5/c1-2-9-13(17)19-14(18)11-8-6-4-3-5-7-10-12(15)16/h13,17H,2-11H2,1H3,(H,15,16)/p-1.
What are the key properties of 10-(1-hydroxybutoxy)-10-oxodecanoate?
10-(1-hydroxybutoxy)-10-oxodecanoate has a molecular weight of 273.35 g/mol, XLogP of 1.52, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-hydroxybutoxy)-10-oxodecanoate is sourced from PubChem (CID 18183031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).