2-(2-ethoxyethoxy)heptyl hydrogen carbonate

C12H24O5 — CID 139923312

IUPAC2-(2-ethoxyethoxy)heptyl hydrogen carbonate
SMILESCCCCCC(COC(=O)O)OCCOCC
InChIInChI=1S/C12H24O5/c1-3-5-6-7-11(10-17-12(13)14)16-9-8-15-4-2/h11H,3-10H2,1-2H3,(H,13,14)
InChIKeyAMPFVXMLNWBMHE-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.68
Rot. Bonds11

About 2-(2-ethoxyethoxy)heptyl hydrogen carbonate

2-(2-ethoxyethoxy)heptyl hydrogen carbonate (PubChem CID 139923312) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)heptyl hydrogen carbonate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)heptyl hydrogen carbonate
PubChem CID139923312
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name2-(2-ethoxyethoxy)heptyl hydrogen carbonate
SMILESCCCCCC(COC(=O)O)OCCOCC
InChIInChI=1S/C12H24O5/c1-3-5-6-7-11(10-17-12(13)14)16-9-8-15-4-2/h11H,3-10H2,1-2H3,(H,13,14)
InChIKeyAMPFVXMLNWBMHE-UHFFFAOYSA-N
XLogP2.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethoxy)heptyl 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

bis[2-(2-ethoxyethoxy)octyl] carbonate
CID 87841193
2-ethoxyoctyl hydrogen carbonate
CID 139923121
[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923284
[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate
CID 139923197
[4-(2-butoxyethoxy)-6-ethoxyhexyl] hydrogen carbonate
CID 139923295
2-(2-ethoxyethoxy)pentyl acetate
CID 87309415
[4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate
CID 139923093
3-ethoxyoctyl hydrogen carbonate
CID 139923205
[4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923215
2-ethoxypentyl hydrogen carbonate
CID 139923190
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate
CID 102433631
1-ethoxydecan-2-yl hydrogen carbonate
CID 139923221

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)heptyl hydrogen carbonate?
The IUPAC name of 2-(2-ethoxyethoxy)heptyl hydrogen carbonate (CID 139923312) is 2-(2-ethoxyethoxy)heptyl hydrogen carbonate.
What is the SMILES notation for 2-(2-ethoxyethoxy)heptyl hydrogen carbonate?
The canonical SMILES for 2-(2-ethoxyethoxy)heptyl hydrogen carbonate is CCCCCC(COC(=O)O)OCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)heptyl hydrogen carbonate?
The InChIKey is AMPFVXMLNWBMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-3-5-6-7-11(10-17-12(13)14)16-9-8-15-4-2/h11H,3-10H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-ethoxyethoxy)heptyl hydrogen carbonate?
2-(2-ethoxyethoxy)heptyl hydrogen carbonate has a molecular weight of 248.32 g/mol, XLogP of 2.68, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)heptyl hydrogen carbonate is sourced from PubChem (CID 139923312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).