2-ethyl-1-pentoxyhexan-1-ol

C13H28O2 — CID 57108991

IUPAC2-ethyl-1-pentoxyhexan-1-ol
SMILESCCCCCOC(O)C(CC)CCCC
InChIInChI=1S/C13H28O2/c1-4-7-9-11-15-13(14)12(6-3)10-8-5-2/h12-14H,4-11H2,1-3H3
InChIKeyZFHQBFZYHWLBLC-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.73
Rot. Bonds10

About 2-ethyl-1-pentoxyhexan-1-ol

2-ethyl-1-pentoxyhexan-1-ol (PubChem CID 57108991) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2-ethyl-1-pentoxyhexan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-pentoxyhexan-1-ol
PubChem CID57108991
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2-ethyl-1-pentoxyhexan-1-ol
SMILESCCCCCOC(O)C(CC)CCCC
InChIInChI=1S/C13H28O2/c1-4-7-9-11-15-13(14)12(6-3)10-8-5-2/h12-14H,4-11H2,1-3H3
InChIKeyZFHQBFZYHWLBLC-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-pentoxyhexan-1-ol?
The IUPAC name of 2-ethyl-1-pentoxyhexan-1-ol (CID 57108991) is 2-ethyl-1-pentoxyhexan-1-ol.
What is the SMILES notation for 2-ethyl-1-pentoxyhexan-1-ol?
The canonical SMILES for 2-ethyl-1-pentoxyhexan-1-ol is CCCCCOC(O)C(CC)CCCC.
What is the InChIKey of 2-ethyl-1-pentoxyhexan-1-ol?
The InChIKey is ZFHQBFZYHWLBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-4-7-9-11-15-13(14)12(6-3)10-8-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-1-pentoxyhexan-1-ol?
2-ethyl-1-pentoxyhexan-1-ol has a molecular weight of 216.36 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-pentoxyhexan-1-ol is sourced from PubChem (CID 57108991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).