[4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate

C12H24O6 — CID 139923093

IUPAC[4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate
SMILESCCOCCC(COC(=O)O)OCC(CC)OC
InChIInChI=1S/C12H24O6/c1-4-10(15-3)8-17-11(6-7-16-5-2)9-18-12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyHZRPWBDMYQXUKS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.92
Rot. Bonds11

About [4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate

[4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate (PubChem CID 139923093) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is [4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate
PubChem CID139923093
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name[4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate
SMILESCCOCCC(COC(=O)O)OCC(CC)OC
InChIInChI=1S/C12H24O6/c1-4-10(15-3)8-17-11(6-7-16-5-2)9-18-12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14)
InChIKeyHZRPWBDMYQXUKS-UHFFFAOYSA-N
XLogP1.92
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-ethoxy-2-(2-methoxybutoxy)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

2-(2-Butoxyethoxy)ethyl hydrogen carbonate
CID 18964131
2-[2-(2-Pentoxypropoxy)ethoxy]ethyl hydrogen carbonate
CID 19862043
(1-Carboxyoxy-3-ethoxypropan-2-yl) hydrogen carbonate
CID 19927086
(1-Carboxyoxy-3-methoxypropan-2-yl) hydrogen carbonate
CID 19927088
1-Butoxybutan-2-yl hydrogen carbonate
CID 20303706
Butane-1,4-diol;1-carboxyoxypropan-2-yl hydrogen carbonate
CID 20358957
1-Carboxyoxybutan-2-yl hydrogen carbonate
CID 21118252
1,3,4-Tricarboxyoxybutan-2-yl hydrogen carbonate
CID 21613633
1,3-Dicarboxyoxybutan-2-yl hydrogen carbonate
CID 21667247
(1-Butoxy-1-carboxyoxypropan-2-yl) hydrogen carbonate
CID 22154157
3-Propoxybutyl hydrogen carbonate
CID 53634184
4-(2-Butoxyethoxy)butan-2-yl hydrogen carbonate
CID 53675321

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate?
The IUPAC name of [4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate (CID 139923093) is [4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate.
What is the SMILES notation for [4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate?
The canonical SMILES for [4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate is CCOCCC(COC(=O)O)OCC(CC)OC.
What is the InChIKey of [4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate?
The InChIKey is HZRPWBDMYQXUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6/c1-4-10(15-3)8-17-11(6-7-16-5-2)9-18-12(13)14/h10-11H,4-9H2,1-3H3,(H,13,14).
What are the key properties of [4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate?
[4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate has a molecular weight of 264.32 g/mol, XLogP of 1.92, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate is sourced from PubChem (CID 139923093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).