cyclodecanecarbaldehyde

C11H20O — CID 13240747

IUPACcyclodecanecarbaldehyde
SMILESO=CC1CCCCCCCCC1
InChIInChI=1S/C11H20O/c12-10-11-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
InChIKeyYTVHEWZXFAIRCL-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds1

About cyclodecanecarbaldehyde

cyclodecanecarbaldehyde (PubChem CID 13240747) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is cyclodecanecarbaldehyde.

Molecular Properties

Compound Namecyclodecanecarbaldehyde
PubChem CID13240747
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Namecyclodecanecarbaldehyde
SMILESO=CC1CCCCCCCCC1
InChIInChI=1S/C11H20O/c12-10-11-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
InChIKeyYTVHEWZXFAIRCL-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclodecanecarbaldehyde?
The IUPAC name of cyclodecanecarbaldehyde (CID 13240747) is cyclodecanecarbaldehyde.
What is the SMILES notation for cyclodecanecarbaldehyde?
The canonical SMILES for cyclodecanecarbaldehyde is O=CC1CCCCCCCCC1.
What is the InChIKey of cyclodecanecarbaldehyde?
The InChIKey is YTVHEWZXFAIRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c12-10-11-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2.
What are the key properties of cyclodecanecarbaldehyde?
cyclodecanecarbaldehyde has a molecular weight of 168.28 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecanecarbaldehyde is sourced from PubChem (CID 13240747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).