3-(2-butoxyethoxy)butyl hydrogen carbonate

C11H22O5 — CID 139923297

IUPAC3-(2-butoxyethoxy)butyl hydrogen carbonate
SMILESCCCCOCCOC(C)CCOC(=O)O
InChIInChI=1S/C11H22O5/c1-3-4-6-14-8-9-15-10(2)5-7-16-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyBKJKSOQQDMTJON-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.29
Rot. Bonds10

About 3-(2-butoxyethoxy)butyl hydrogen carbonate

3-(2-butoxyethoxy)butyl hydrogen carbonate (PubChem CID 139923297) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)butyl hydrogen carbonate.

Molecular Properties

Compound Name3-(2-butoxyethoxy)butyl hydrogen carbonate
PubChem CID139923297
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name3-(2-butoxyethoxy)butyl hydrogen carbonate
SMILESCCCCOCCOC(C)CCOC(=O)O
InChIInChI=1S/C11H22O5/c1-3-4-6-14-8-9-15-10(2)5-7-16-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyBKJKSOQQDMTJON-UHFFFAOYSA-N
XLogP2.29
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-butoxyethoxy)butyl hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-butoxyethoxy)pentanoic acid
CID 62213441
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87841701
[4-(2-butoxyethoxy)-6-ethoxyhexyl] hydrogen carbonate
CID 139923295
3-butoxybutyl ethyl carbonate
CID 87247604
[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate
CID 139923197
butyl hydrogen carbonate
CID 157271096
methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806
3-butoxy-1-propoxybutane
CID 57175368
3-(2-butoxyethoxy)butan-2-one
CID 43800225
3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine
CID 115002778
2-[2-(2-hexan-2-yloxyethoxy)ethoxy]ethyl benzoate
CID 175732668
1-(3-dodecoxybutoxy)dodecane
CID 173358855

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)butyl hydrogen carbonate?
The IUPAC name of 3-(2-butoxyethoxy)butyl hydrogen carbonate (CID 139923297) is 3-(2-butoxyethoxy)butyl hydrogen carbonate.
What is the SMILES notation for 3-(2-butoxyethoxy)butyl hydrogen carbonate?
The canonical SMILES for 3-(2-butoxyethoxy)butyl hydrogen carbonate is CCCCOCCOC(C)CCOC(=O)O.
What is the InChIKey of 3-(2-butoxyethoxy)butyl hydrogen carbonate?
The InChIKey is BKJKSOQQDMTJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-3-4-6-14-8-9-15-10(2)5-7-16-11(12)13/h10H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-butoxyethoxy)butyl hydrogen carbonate?
3-(2-butoxyethoxy)butyl hydrogen carbonate has a molecular weight of 234.29 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)butyl hydrogen carbonate is sourced from PubChem (CID 139923297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).