1-(6-pentadecoxyhexoxy)pentadecane

C36H74O2 — CID 139884766

IUPAC1-(6-pentadecoxyhexoxy)pentadecane
SMILESCCCCCCCCCCCCCCCOCCCCCCOCCCCCCCCCCCCCCC
InChIInChI=1S/C36H74O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-37-35-31-27-28-32-36-38-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKeyGHIDKBKUOJCVFN-UHFFFAOYSA-N
MW538.99 g/mol
LogP12.76
Rot. Bonds35

About 1-(6-pentadecoxyhexoxy)pentadecane

1-(6-pentadecoxyhexoxy)pentadecane (PubChem CID 139884766) has the molecular formula C36H74O2 and a molecular weight of 538.99 g/mol. Its IUPAC name is 1-(6-pentadecoxyhexoxy)pentadecane.

Molecular Properties

Compound Name1-(6-pentadecoxyhexoxy)pentadecane
PubChem CID139884766
Molecular FormulaC36H74O2
Molecular Weight538.99 g/mol
Exact Mass538.57
IUPAC Name1-(6-pentadecoxyhexoxy)pentadecane
SMILESCCCCCCCCCCCCCCCOCCCCCCOCCCCCCCCCCCCCCC
InChIInChI=1S/C36H74O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-37-35-31-27-28-32-36-38-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKeyGHIDKBKUOJCVFN-UHFFFAOYSA-N
XLogP12.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.99
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
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-(6-pentadecoxyhexoxy)pentadecane?
The IUPAC name of 1-(6-pentadecoxyhexoxy)pentadecane (CID 139884766) is 1-(6-pentadecoxyhexoxy)pentadecane.
What is the SMILES notation for 1-(6-pentadecoxyhexoxy)pentadecane?
The canonical SMILES for 1-(6-pentadecoxyhexoxy)pentadecane is CCCCCCCCCCCCCCCOCCCCCCOCCCCCCCCCCCCCCC.
What is the InChIKey of 1-(6-pentadecoxyhexoxy)pentadecane?
The InChIKey is GHIDKBKUOJCVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-37-35-31-27-28-32-36-38-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3.
What are the key properties of 1-(6-pentadecoxyhexoxy)pentadecane?
1-(6-pentadecoxyhexoxy)pentadecane has a molecular weight of 538.99 g/mol, XLogP of 12.76, 35 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pentadecoxyhexoxy)pentadecane is sourced from PubChem (CID 139884766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).