1-undecan-2-yloxypentadecane

C26H54O — CID 174433069

IUPAC1-undecan-2-yloxypentadecane
SMILESCCCCCCCCCCCCCCCOC(C)CCCCCCCCC
InChIInChI=1S/C26H54O/c1-4-6-8-10-12-13-14-15-16-17-19-21-23-25-27-26(3)24-22-20-18-11-9-7-5-2/h26H,4-25H2,1-3H3
InChIKeyAOGHZEXXNKYTAZ-UHFFFAOYSA-N
MW382.72 g/mol
LogP9.62
Rot. Bonds23

About 1-undecan-2-yloxypentadecane

1-undecan-2-yloxypentadecane (PubChem CID 174433069) has the molecular formula C26H54O and a molecular weight of 382.72 g/mol. Its IUPAC name is 1-undecan-2-yloxypentadecane.

Molecular Properties

Compound Name1-undecan-2-yloxypentadecane
PubChem CID174433069
Molecular FormulaC26H54O
Molecular Weight382.72 g/mol
Exact Mass382.42
IUPAC Name1-undecan-2-yloxypentadecane
SMILESCCCCCCCCCCCCCCCOC(C)CCCCCCCCC
InChIInChI=1S/C26H54O/c1-4-6-8-10-12-13-14-15-16-17-19-21-23-25-27-26(3)24-22-20-18-11-9-7-5-2/h26H,4-25H2,1-3H3
InChIKeyAOGHZEXXNKYTAZ-UHFFFAOYSA-N
XLogP9.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 59.62
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-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-hexan-2-yloxydecane
CID 57029724
4-octan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 55133286
1-(3-dodecoxybutoxy)dodecane
CID 173358855
2-(2-methoxyethoxy)octadecane
CID 89276167
2-octan-2-yloxyethanamine
CID 43127313
2-(2-chloroethoxy)octane
CID 20788636
6-octan-2-yloxyhexan-2-one
CID 43793687
2-ethoxytridecane
CID 54143367
2-butoxyhexane;ethane
CID 144590910

Frequently Asked Questions

What is the IUPAC name of 1-undecan-2-yloxypentadecane?
The IUPAC name of 1-undecan-2-yloxypentadecane (CID 174433069) is 1-undecan-2-yloxypentadecane.
What is the SMILES notation for 1-undecan-2-yloxypentadecane?
The canonical SMILES for 1-undecan-2-yloxypentadecane is CCCCCCCCCCCCCCCOC(C)CCCCCCCCC.
What is the InChIKey of 1-undecan-2-yloxypentadecane?
The InChIKey is AOGHZEXXNKYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O/c1-4-6-8-10-12-13-14-15-16-17-19-21-23-25-27-26(3)24-22-20-18-11-9-7-5-2/h26H,4-25H2,1-3H3.
What are the key properties of 1-undecan-2-yloxypentadecane?
1-undecan-2-yloxypentadecane has a molecular weight of 382.72 g/mol, XLogP of 9.62, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undecan-2-yloxypentadecane is sourced from PubChem (CID 174433069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).