[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate

C14H28O7 — CID 139923197

IUPAC[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate
SMILESCCCCOCCOCCOC(CCOC)COC(=O)O
InChIInChI=1S/C14H28O7/c1-3-4-6-18-8-9-19-10-11-20-13(5-7-17-2)12-21-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyZNDIFXGPLZCGQK-UHFFFAOYSA-N
MW308.37 g/mol
LogP1.94
Rot. Bonds15

About [2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate

[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate (PubChem CID 139923197) has the molecular formula C14H28O7 and a molecular weight of 308.37 g/mol. Its IUPAC name is [2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate.

Molecular Properties

Compound Name[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate
PubChem CID139923197
Molecular FormulaC14H28O7
Molecular Weight308.37 g/mol
Exact Mass308.18
IUPAC Name[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate
SMILESCCCCOCCOCCOC(CCOC)COC(=O)O
InChIInChI=1S/C14H28O7/c1-3-4-6-18-8-9-19-10-11-20-13(5-7-17-2)12-21-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyZNDIFXGPLZCGQK-UHFFFAOYSA-N
XLogP1.94
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] 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-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923215
[4-methoxy-2-(2-methoxyethoxy)butyl] hydrogen carbonate
CID 87840874
[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923284
2-(2-ethoxyethoxy)heptyl hydrogen carbonate
CID 139923312
[4-(2-butoxyethoxy)-6-ethoxyhexyl] hydrogen carbonate
CID 139923295
2-[3-[2-[2-[2-[2-[1,3-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]acetamide
CID 141360570
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate
CID 102433631
3-(2-butoxyethoxy)butyl hydrogen carbonate
CID 139923297
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87841701
[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate
CID 141068739
[4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate
CID 139923093
[(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 170658360

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate?
The IUPAC name of [2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate (CID 139923197) is [2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate.
What is the SMILES notation for [2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate?
The canonical SMILES for [2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate is CCCCOCCOCCOC(CCOC)COC(=O)O.
What is the InChIKey of [2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate?
The InChIKey is ZNDIFXGPLZCGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O7/c1-3-4-6-18-8-9-19-10-11-20-13(5-7-17-2)12-21-14(15)16/h13H,3-12H2,1-2H3,(H,15,16).
What are the key properties of [2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate?
[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate has a molecular weight of 308.37 g/mol, XLogP of 1.94, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate is sourced from PubChem (CID 139923197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).