6-ethyldecan-5-yloxy hydrogen carbonate

C13H26O4 — CID 87793236

IUPAC6-ethyldecan-5-yloxy hydrogen carbonate
SMILESCCCCC(CC)C(CCCC)OOC(=O)O
InChIInChI=1S/C13H26O4/c1-4-7-9-11(6-3)12(10-8-5-2)16-17-13(14)15/h11-12H,4-10H2,1-3H3,(H,14,15)
InChIKeyOORSIWGLELGDRQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.39
Rot. Bonds10

About 6-ethyldecan-5-yloxy hydrogen carbonate

6-ethyldecan-5-yloxy hydrogen carbonate (PubChem CID 87793236) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-ethyldecan-5-yloxy hydrogen carbonate.

Molecular Properties

Compound Name6-ethyldecan-5-yloxy hydrogen carbonate
PubChem CID87793236
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name6-ethyldecan-5-yloxy hydrogen carbonate
SMILESCCCCC(CC)C(CCCC)OOC(=O)O
InChIInChI=1S/C13H26O4/c1-4-7-9-11(6-3)12(10-8-5-2)16-17-13(14)15/h11-12H,4-10H2,1-3H3,(H,14,15)
InChIKeyOORSIWGLELGDRQ-UHFFFAOYSA-N
XLogP4.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

5-ethylundecan-6-yloxy hydrogen carbonate
CID 87718198
(4-ethyl-2,2-dimethyloctan-3-yl)peroxy hydrogen carbonate
CID 87238700
6-ethyldecan-5-yloxy(oxo)phosphanium;nickel
CID 160585258
12-(5-ethyloctadecan-6-yloxy)-12-oxododecanoic acid
CID 141458403
12-(5-ethylhexadecan-6-yloxy)-12-oxododecanoic acid
CID 141458409
4-ethyl-5-(4-ethylnonan-5-yloxy)nonane
CID 88635662
2-methylheptan-3-yl hydrogen carbonate
CID 87132104
ethyl 3-ethyl-2-methylheptanoate
CID 144913747
4-(5,8-diethyldodecan-6-yloxy)-4-oxobut-2-enoic acid
CID 173071338
4-(4-ethyloctan-3-yloxy)-4-oxo-3-sulfobutanoic acid
CID 91359699
2-(5-ethylheptadecan-6-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262913
(2-ethyl-1-phenylhexyl) hydrogen carbonate
CID 176898720

Frequently Asked Questions

What is the IUPAC name of 6-ethyldecan-5-yloxy hydrogen carbonate?
The IUPAC name of 6-ethyldecan-5-yloxy hydrogen carbonate (CID 87793236) is 6-ethyldecan-5-yloxy hydrogen carbonate.
What is the SMILES notation for 6-ethyldecan-5-yloxy hydrogen carbonate?
The canonical SMILES for 6-ethyldecan-5-yloxy hydrogen carbonate is CCCCC(CC)C(CCCC)OOC(=O)O.
What is the InChIKey of 6-ethyldecan-5-yloxy hydrogen carbonate?
The InChIKey is OORSIWGLELGDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-4-7-9-11(6-3)12(10-8-5-2)16-17-13(14)15/h11-12H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 6-ethyldecan-5-yloxy hydrogen carbonate?
6-ethyldecan-5-yloxy hydrogen carbonate has a molecular weight of 246.35 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyldecan-5-yloxy hydrogen carbonate is sourced from PubChem (CID 87793236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).