1-dodecoxyhexadecane

C28H58O — CID 22256973

IUPAC1-dodecoxyhexadecane
SMILESCCCCCCCCCCCCCCCCOCCCCCCCCCCCC
InChIInChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-29-27-25-23-21-19-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKeyUHZXFFLTKRFUQF-UHFFFAOYSA-N
MW410.77 g/mol
LogP10.41
Rot. Bonds26

About 1-dodecoxyhexadecane

1-dodecoxyhexadecane (PubChem CID 22256973) has the molecular formula C28H58O and a molecular weight of 410.77 g/mol. Its IUPAC name is 1-dodecoxyhexadecane.

Molecular Properties

Compound Name1-dodecoxyhexadecane
PubChem CID22256973
Molecular FormulaC28H58O
Molecular Weight410.77 g/mol
Exact Mass410.45
IUPAC Name1-dodecoxyhexadecane
SMILESCCCCCCCCCCCCCCCCOCCCCCCCCCCCC
InChIInChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-29-27-25-23-21-19-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKeyUHZXFFLTKRFUQF-UHFFFAOYSA-N
XLogP10.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.77
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735
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-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279

Frequently Asked Questions

What is the IUPAC name of 1-dodecoxyhexadecane?
The IUPAC name of 1-dodecoxyhexadecane (CID 22256973) is 1-dodecoxyhexadecane.
What is the SMILES notation for 1-dodecoxyhexadecane?
The canonical SMILES for 1-dodecoxyhexadecane is CCCCCCCCCCCCCCCCOCCCCCCCCCCCC.
What is the InChIKey of 1-dodecoxyhexadecane?
The InChIKey is UHZXFFLTKRFUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-29-27-25-23-21-19-14-12-10-8-6-4-2/h3-28H2,1-2H3.
What are the key properties of 1-dodecoxyhexadecane?
1-dodecoxyhexadecane has a molecular weight of 410.77 g/mol, XLogP of 10.41, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecoxyhexadecane is sourced from PubChem (CID 22256973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).