1-ethenoxyhexan-3-ol

C8H16O2 — CID 57263955

IUPAC1-ethenoxyhexan-3-ol
SMILESC=COCCC(O)CCC
InChIInChI=1S/C8H16O2/c1-3-5-8(9)6-7-10-4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKeyOUDOGZQZRSLUDY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.70
Rot. Bonds6

About 1-ethenoxyhexan-3-ol

1-ethenoxyhexan-3-ol (PubChem CID 57263955) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-ethenoxyhexan-3-ol.

Molecular Properties

Compound Name1-ethenoxyhexan-3-ol
PubChem CID57263955
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-ethenoxyhexan-3-ol
SMILESC=COCCC(O)CCC
InChIInChI=1S/C8H16O2/c1-3-5-8(9)6-7-10-4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKeyOUDOGZQZRSLUDY-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxyhexan-3-ol?
The IUPAC name of 1-ethenoxyhexan-3-ol (CID 57263955) is 1-ethenoxyhexan-3-ol.
What is the SMILES notation for 1-ethenoxyhexan-3-ol?
The canonical SMILES for 1-ethenoxyhexan-3-ol is C=COCCC(O)CCC.
What is the InChIKey of 1-ethenoxyhexan-3-ol?
The InChIKey is OUDOGZQZRSLUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-8(9)6-7-10-4-2/h4,8-9H,2-3,5-7H2,1H3.
What are the key properties of 1-ethenoxyhexan-3-ol?
1-ethenoxyhexan-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyhexan-3-ol is sourced from PubChem (CID 57263955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).