1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane

C32H66O3 — CID 10743953

IUPAC1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
SMILESCCCCCCCCCCCCCCOCCOCCOCCCCCCCCCCCCCC
InChIInChI=1S/C32H66O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-29-31-35-32-30-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKeyNMCUSDCFNUVBMD-UHFFFAOYSA-N
MW498.88 g/mol
LogP10.44
Rot. Bonds32

About 1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane

1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane (PubChem CID 10743953) has the molecular formula C32H66O3 and a molecular weight of 498.88 g/mol. Its IUPAC name is 1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane.

Molecular Properties

Compound Name1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
PubChem CID10743953
Molecular FormulaC32H66O3
Molecular Weight498.88 g/mol
Exact Mass498.50
IUPAC Name1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
SMILESCCCCCCCCCCCCCCOCCOCCOCCCCCCCCCCCCCC
InChIInChI=1S/C32H66O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-29-31-35-32-30-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKeyNMCUSDCFNUVBMD-UHFFFAOYSA-N
XLogP10.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.88
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
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-heptoxyethoxy)ethoxy]heptane
CID 14402381
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-tetradecoxyethoxy)ethoxy]tetradecane?
The IUPAC name of 1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane (CID 10743953) is 1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane.
What is the SMILES notation for 1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane?
The canonical SMILES for 1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane is CCCCCCCCCCCCCCOCCOCCOCCCCCCCCCCCCCC.
What is the InChIKey of 1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane?
The InChIKey is NMCUSDCFNUVBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-29-31-35-32-30-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3.
What are the key properties of 1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane?
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane has a molecular weight of 498.88 g/mol, XLogP of 10.44, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane is sourced from PubChem (CID 10743953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).