cyclooctane-1,5-dicarbaldehyde

C10H16O2 — CID 18542113

IUPACcyclooctane-1,5-dicarbaldehyde
SMILESO=CC1CCCC(C=O)CCC1
InChIInChI=1S/C10H16O2/c11-7-9-3-1-4-10(8-12)6-2-5-9/h7-10H,1-6H2
InChIKeyYGGMNXBFEVUBKT-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.97
Rot. Bonds2

About cyclooctane-1,5-dicarbaldehyde

cyclooctane-1,5-dicarbaldehyde (PubChem CID 18542113) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cyclooctane-1,5-dicarbaldehyde.

Molecular Properties

Compound Namecyclooctane-1,5-dicarbaldehyde
PubChem CID18542113
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecyclooctane-1,5-dicarbaldehyde
SMILESO=CC1CCCC(C=O)CCC1
InChIInChI=1S/C10H16O2/c11-7-9-3-1-4-10(8-12)6-2-5-9/h7-10H,1-6H2
InChIKeyYGGMNXBFEVUBKT-UHFFFAOYSA-N
XLogP1.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclooctane-1,5-dicarbaldehyde?
The IUPAC name of cyclooctane-1,5-dicarbaldehyde (CID 18542113) is cyclooctane-1,5-dicarbaldehyde.
What is the SMILES notation for cyclooctane-1,5-dicarbaldehyde?
The canonical SMILES for cyclooctane-1,5-dicarbaldehyde is O=CC1CCCC(C=O)CCC1.
What is the InChIKey of cyclooctane-1,5-dicarbaldehyde?
The InChIKey is YGGMNXBFEVUBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-7-9-3-1-4-10(8-12)6-2-5-9/h7-10H,1-6H2.
What are the key properties of cyclooctane-1,5-dicarbaldehyde?
cyclooctane-1,5-dicarbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctane-1,5-dicarbaldehyde is sourced from PubChem (CID 18542113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).