ethoxyethane;tridecan-1-ol

C17H38O2 — CID 87091597

IUPACethoxyethane;tridecan-1-ol
SMILESCCCCCCCCCCCCCO.CCOCC
InChIInChI=1S/C13H28O.C4H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-3-5-4-2/h14H,2-13H2,1H3;3-4H2,1-2H3
InChIKeyPJVKZDIIQSMLKI-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.33
Rot. Bonds13

About ethoxyethane;tridecan-1-ol

ethoxyethane;tridecan-1-ol (PubChem CID 87091597) has the molecular formula C17H38O2 and a molecular weight of 274.49 g/mol. Its IUPAC name is ethoxyethane;tridecan-1-ol.

Molecular Properties

Compound Nameethoxyethane;tridecan-1-ol
PubChem CID87091597
Molecular FormulaC17H38O2
Molecular Weight274.49 g/mol
Exact Mass274.29
IUPAC Nameethoxyethane;tridecan-1-ol
SMILESCCCCCCCCCCCCCO.CCOCC
InChIInChI=1S/C13H28O.C4H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-3-5-4-2/h14H,2-13H2,1H3;3-4H2,1-2H3
InChIKeyPJVKZDIIQSMLKI-UHFFFAOYSA-N
XLogP5.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;tridecan-1-ol?
The IUPAC name of ethoxyethane;tridecan-1-ol (CID 87091597) is ethoxyethane;tridecan-1-ol.
What is the SMILES notation for ethoxyethane;tridecan-1-ol?
The canonical SMILES for ethoxyethane;tridecan-1-ol is CCCCCCCCCCCCCO.CCOCC.
What is the InChIKey of ethoxyethane;tridecan-1-ol?
The InChIKey is PJVKZDIIQSMLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O.C4H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-3-5-4-2/h14H,2-13H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;tridecan-1-ol?
ethoxyethane;tridecan-1-ol has a molecular weight of 274.49 g/mol, XLogP of 5.33, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;tridecan-1-ol is sourced from PubChem (CID 87091597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).