11-carboxyoxyundecyl hydrogen carbonate

C13H24O6 — CID 87454351

IUPAC11-carboxyoxyundecyl hydrogen carbonate
SMILESO=C(O)OCCCCCCCCCCCOC(=O)O
InChIInChI=1S/C13H24O6/c14-12(15)18-10-8-6-4-2-1-3-5-7-9-11-19-13(16)17/h1-11H2,(H,14,15)(H,16,17)
InChIKeyAXFOBPYGIZISIY-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.89
Rot. Bonds12

About 11-carboxyoxyundecyl hydrogen carbonate

11-carboxyoxyundecyl hydrogen carbonate (PubChem CID 87454351) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 11-carboxyoxyundecyl hydrogen carbonate.

Molecular Properties

Compound Name11-carboxyoxyundecyl hydrogen carbonate
PubChem CID87454351
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name11-carboxyoxyundecyl hydrogen carbonate
SMILESO=C(O)OCCCCCCCCCCCOC(=O)O
InChIInChI=1S/C13H24O6/c14-12(15)18-10-8-6-4-2-1-3-5-7-9-11-19-13(16)17/h1-11H2,(H,14,15)(H,16,17)
InChIKeyAXFOBPYGIZISIY-UHFFFAOYSA-N
XLogP3.89
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-carboxyoxyhexyl hydrogen carbonate
CID 10420507
carbonic acid;5-carboxyoxypentyl hydrogen carbonate
CID 87376927
triheptacontyl hydrogen carbonate
CID 142754463
6-aminohexyl hydrogen carbonate;hydrochloride
CID 171616811
heptaheptacontyl hydrogen carbonate
CID 162768324
azane;nonyl hydrogen carbonate
CID 175306231
6-carboxyoxyhexyl 6-hydroxyhexyl carbonate
CID 171600611
calcium;dodecyl hydrogen carbonate;hydride
CID 174789528
6,6-dimethylheptyl hydrogen carbonate
CID 129150337
16-(dimethylamino)hexadecyl hydrogen carbonate
CID 177225064
butyl hydrogen carbonate
CID 157271096
16-(dimethylamino)hexadecyl hydrogen carbonate;methanol
CID 177226499

Frequently Asked Questions

What is the IUPAC name of 11-carboxyoxyundecyl hydrogen carbonate?
The IUPAC name of 11-carboxyoxyundecyl hydrogen carbonate (CID 87454351) is 11-carboxyoxyundecyl hydrogen carbonate.
What is the SMILES notation for 11-carboxyoxyundecyl hydrogen carbonate?
The canonical SMILES for 11-carboxyoxyundecyl hydrogen carbonate is O=C(O)OCCCCCCCCCCCOC(=O)O.
What is the InChIKey of 11-carboxyoxyundecyl hydrogen carbonate?
The InChIKey is AXFOBPYGIZISIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c14-12(15)18-10-8-6-4-2-1-3-5-7-9-11-19-13(16)17/h1-11H2,(H,14,15)(H,16,17).
What are the key properties of 11-carboxyoxyundecyl hydrogen carbonate?
11-carboxyoxyundecyl hydrogen carbonate has a molecular weight of 276.33 g/mol, XLogP of 3.89, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-carboxyoxyundecyl hydrogen carbonate is sourced from PubChem (CID 87454351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).