8-(oxiran-2-yl)octanal

C10H18O2 — CID 11275262

IUPAC8-(oxiran-2-yl)octanal
SMILESO=CCCCCCCCC1CO1
InChIInChI=1S/C10H18O2/c11-8-6-4-2-1-3-5-7-10-9-12-10/h8,10H,1-7,9H2
InChIKeyDZFKBGZCTIOTQK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.31
Rot. Bonds8

About 8-(oxiran-2-yl)octanal

8-(oxiran-2-yl)octanal (PubChem CID 11275262) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 8-(oxiran-2-yl)octanal.

Molecular Properties

Compound Name8-(oxiran-2-yl)octanal
PubChem CID11275262
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name8-(oxiran-2-yl)octanal
SMILESO=CCCCCCCCC1CO1
InChIInChI=1S/C10H18O2/c11-8-6-4-2-1-3-5-7-10-9-12-10/h8,10H,1-7,9H2
InChIKeyDZFKBGZCTIOTQK-UHFFFAOYSA-N
XLogP2.31
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(oxiran-2-yl)octanal?
The IUPAC name of 8-(oxiran-2-yl)octanal (CID 11275262) is 8-(oxiran-2-yl)octanal.
What is the SMILES notation for 8-(oxiran-2-yl)octanal?
The canonical SMILES for 8-(oxiran-2-yl)octanal is O=CCCCCCCCC1CO1.
What is the InChIKey of 8-(oxiran-2-yl)octanal?
The InChIKey is DZFKBGZCTIOTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-8-6-4-2-1-3-5-7-10-9-12-10/h8,10H,1-7,9H2.
What are the key properties of 8-(oxiran-2-yl)octanal?
8-(oxiran-2-yl)octanal has a molecular weight of 170.25 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxiran-2-yl)octanal is sourced from PubChem (CID 11275262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).