2,2-diethylcyclododecane-1-carbaldehyde

C17H32O — CID 138734451

IUPAC2,2-diethylcyclododecane-1-carbaldehyde
SMILESCCC1(CC)CCCCCCCCCCC1C=O
InChIInChI=1S/C17H32O/c1-3-17(4-2)14-12-10-8-6-5-7-9-11-13-16(17)15-18/h15-16H,3-14H2,1-2H3
InChIKeyDHFOOGGZIXZFKH-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.52
Rot. Bonds3

About 2,2-diethylcyclododecane-1-carbaldehyde

2,2-diethylcyclododecane-1-carbaldehyde (PubChem CID 138734451) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 2,2-diethylcyclododecane-1-carbaldehyde.

Molecular Properties

Compound Name2,2-diethylcyclododecane-1-carbaldehyde
PubChem CID138734451
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name2,2-diethylcyclododecane-1-carbaldehyde
SMILESCCC1(CC)CCCCCCCCCCC1C=O
InChIInChI=1S/C17H32O/c1-3-17(4-2)14-12-10-8-6-5-7-9-11-13-16(17)15-18/h15-16H,3-14H2,1-2H3
InChIKeyDHFOOGGZIXZFKH-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.52
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 2,2-diethylcyclododecane-1-carbaldehyde?
The IUPAC name of 2,2-diethylcyclododecane-1-carbaldehyde (CID 138734451) is 2,2-diethylcyclododecane-1-carbaldehyde.
What is the SMILES notation for 2,2-diethylcyclododecane-1-carbaldehyde?
The canonical SMILES for 2,2-diethylcyclododecane-1-carbaldehyde is CCC1(CC)CCCCCCCCCCC1C=O.
What is the InChIKey of 2,2-diethylcyclododecane-1-carbaldehyde?
The InChIKey is DHFOOGGZIXZFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-3-17(4-2)14-12-10-8-6-5-7-9-11-13-16(17)15-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 2,2-diethylcyclododecane-1-carbaldehyde?
2,2-diethylcyclododecane-1-carbaldehyde has a molecular weight of 252.44 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylcyclododecane-1-carbaldehyde is sourced from PubChem (CID 138734451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).