1-[2-(2-heptoxyethoxy)ethoxy]heptane

C18H38O3 — CID 14402381

IUPAC1-[2-(2-heptoxyethoxy)ethoxy]heptane
SMILESCCCCCCCOCCOCCOCCCCCCC
InChIInChI=1S/C18H38O3/c1-3-5-7-9-11-13-19-15-17-21-18-16-20-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeySQMGATPYMSUPSP-UHFFFAOYSA-N
MW302.50 g/mol
LogP4.98
Rot. Bonds18

About 1-[2-(2-heptoxyethoxy)ethoxy]heptane

1-[2-(2-heptoxyethoxy)ethoxy]heptane (PubChem CID 14402381) has the molecular formula C18H38O3 and a molecular weight of 302.50 g/mol. Its IUPAC name is 1-[2-(2-heptoxyethoxy)ethoxy]heptane.

Molecular Properties

Compound Name1-[2-(2-heptoxyethoxy)ethoxy]heptane
PubChem CID14402381
Molecular FormulaC18H38O3
Molecular Weight302.50 g/mol
Exact Mass302.28
IUPAC Name1-[2-(2-heptoxyethoxy)ethoxy]heptane
SMILESCCCCCCCOCCOCCOCCCCCCC
InChIInChI=1S/C18H38O3/c1-3-5-7-9-11-13-19-15-17-21-18-16-20-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeySQMGATPYMSUPSP-UHFFFAOYSA-N
XLogP4.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2-heptoxyethoxy)ethoxy]heptane 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

1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-(2-decoxyethoxy)decane
CID 14009354
1-(2-nonoxyethoxy)nonane
CID 87982931
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-heptoxyethoxy)ethoxy]heptane?
The IUPAC name of 1-[2-(2-heptoxyethoxy)ethoxy]heptane (CID 14402381) is 1-[2-(2-heptoxyethoxy)ethoxy]heptane.
What is the SMILES notation for 1-[2-(2-heptoxyethoxy)ethoxy]heptane?
The canonical SMILES for 1-[2-(2-heptoxyethoxy)ethoxy]heptane is CCCCCCCOCCOCCOCCCCCCC.
What is the InChIKey of 1-[2-(2-heptoxyethoxy)ethoxy]heptane?
The InChIKey is SQMGATPYMSUPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3/c1-3-5-7-9-11-13-19-15-17-21-18-16-20-14-12-10-8-6-4-2/h3-18H2,1-2H3.
What are the key properties of 1-[2-(2-heptoxyethoxy)ethoxy]heptane?
1-[2-(2-heptoxyethoxy)ethoxy]heptane has a molecular weight of 302.50 g/mol, XLogP of 4.98, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-heptoxyethoxy)ethoxy]heptane is sourced from PubChem (CID 14402381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).