2-hexadecoxyethanol

C18H38O2 — CID 16492

IUPAC2-hexadecoxyethanol
SMILESCCCCCCCCCCCCCCCCOCCO
InChIInChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h19H,2-18H2,1H3
InChIKeyFSAMVJAGJWGWTQ-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.48
Rot. Bonds17

About 2-hexadecoxyethanol

2-hexadecoxyethanol (PubChem CID 16492) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 2-hexadecoxyethanol.

Molecular Properties

Compound Name2-hexadecoxyethanol
PubChem CID16492
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name2-hexadecoxyethanol
SMILESCCCCCCCCCCCCCCCCOCCO
InChIInChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h19H,2-18H2,1H3
InChIKeyFSAMVJAGJWGWTQ-UHFFFAOYSA-N
XLogP5.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.48
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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Frequently Asked Questions

What is the IUPAC name of 2-hexadecoxyethanol?
The IUPAC name of 2-hexadecoxyethanol (CID 16492) is 2-hexadecoxyethanol.
What is the SMILES notation for 2-hexadecoxyethanol?
The canonical SMILES for 2-hexadecoxyethanol is CCCCCCCCCCCCCCCCOCCO.
What is the InChIKey of 2-hexadecoxyethanol?
The InChIKey is FSAMVJAGJWGWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h19H,2-18H2,1H3.
What are the key properties of 2-hexadecoxyethanol?
2-hexadecoxyethanol has a molecular weight of 286.50 g/mol, XLogP of 5.48, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecoxyethanol is sourced from PubChem (CID 16492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).