1-ethoxydecan-2-yl hydrogen carbonate

C13H26O4 — CID 139923221

IUPAC1-ethoxydecan-2-yl hydrogen carbonate
SMILESCCCCCCCCC(COCC)OC(=O)O
InChIInChI=1S/C13H26O4/c1-3-5-6-7-8-9-10-12(11-16-4-2)17-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
InChIKeySFJLYIAWKIMQFQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.84
Rot. Bonds11

About 1-ethoxydecan-2-yl hydrogen carbonate

1-ethoxydecan-2-yl hydrogen carbonate (PubChem CID 139923221) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-ethoxydecan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name1-ethoxydecan-2-yl hydrogen carbonate
PubChem CID139923221
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name1-ethoxydecan-2-yl hydrogen carbonate
SMILESCCCCCCCCC(COCC)OC(=O)O
InChIInChI=1S/C13H26O4/c1-3-5-6-7-8-9-10-12(11-16-4-2)17-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
InChIKeySFJLYIAWKIMQFQ-UHFFFAOYSA-N
XLogP3.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxyhexan-2-yl hydrogen carbonate
CID 139923308
1-ethoxypentan-2-yl hydrogen carbonate
CID 139923305
hexacosan-8-yl hydrogen carbonate
CID 87300461
heptadecan-9-yl hydrogen carbonate
CID 18183422
heptacosan-14-yl hydrogen carbonate
CID 87148310
icosan-10-yl hydrogen carbonate
CID 151448549
tricosan-7-yl hydrogen carbonate
CID 87300503
nonadecan-4-yl hydrogen carbonate
CID 87300318
henicosan-3-yl hydrogen carbonate
CID 87300438
1-hydroxypentadecan-3-yl hydrogen carbonate
CID 118165795
24-bromotetracosan-9-yl hydrogen carbonate
CID 172800180
1-(2-ethoxybutoxy)hexan-2-yl hydrogen carbonate
CID 87842945

Frequently Asked Questions

What is the IUPAC name of 1-ethoxydecan-2-yl hydrogen carbonate?
The IUPAC name of 1-ethoxydecan-2-yl hydrogen carbonate (CID 139923221) is 1-ethoxydecan-2-yl hydrogen carbonate.
What is the SMILES notation for 1-ethoxydecan-2-yl hydrogen carbonate?
The canonical SMILES for 1-ethoxydecan-2-yl hydrogen carbonate is CCCCCCCCC(COCC)OC(=O)O.
What is the InChIKey of 1-ethoxydecan-2-yl hydrogen carbonate?
The InChIKey is SFJLYIAWKIMQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-3-5-6-7-8-9-10-12(11-16-4-2)17-13(14)15/h12H,3-11H2,1-2H3,(H,14,15).
What are the key properties of 1-ethoxydecan-2-yl hydrogen carbonate?
1-ethoxydecan-2-yl hydrogen carbonate has a molecular weight of 246.35 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxydecan-2-yl hydrogen carbonate is sourced from PubChem (CID 139923221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).