1,2-diethylcyclododecane-1-carbaldehyde

C17H32O — CID 138734450

IUPAC1,2-diethylcyclododecane-1-carbaldehyde
SMILESCCC1CCCCCCCCCCC1(C=O)CC
InChIInChI=1S/C17H32O/c1-3-16-13-11-9-7-5-6-8-10-12-14-17(16,4-2)15-18/h15-16H,3-14H2,1-2H3
InChIKeyUBVKUEGKTWZENM-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.52
Rot. Bonds3

About 1,2-diethylcyclododecane-1-carbaldehyde

1,2-diethylcyclododecane-1-carbaldehyde (PubChem CID 138734450) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1,2-diethylcyclododecane-1-carbaldehyde.

Molecular Properties

Compound Name1,2-diethylcyclododecane-1-carbaldehyde
PubChem CID138734450
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1,2-diethylcyclododecane-1-carbaldehyde
SMILESCCC1CCCCCCCCCCC1(C=O)CC
InChIInChI=1S/C17H32O/c1-3-16-13-11-9-7-5-6-8-10-12-14-17(16,4-2)15-18/h15-16H,3-14H2,1-2H3
InChIKeyUBVKUEGKTWZENM-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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Related Compounds

1,2-diethylcyclohexane-1-carbaldehyde
CID 138734421
1,2-diethylcycloheptane-1-thiol
CID 19850360
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
2,2-diethylcyclododecane-1-carbaldehyde
CID 138734451
trans-(1S,2S)-2-methyl-1-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 130753828
2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde
CID 114795390
2-methyl-1-propylcyclopentane-1-carbaldehyde
CID 130655342
2-ethyl-1-sulfanylcyclohexan-1-ol
CID 20564659
2-(1,2-diethylcyclohexyl)propanedioic acid
CID 69475153
1-[(E)-3-chloroprop-2-enyl]-2-methylcyclohexane-1-carbaldehyde
CID 131237182
1,2-diethylbicyclo[4.4.1]undecane
CID 91239883
2-ethyl-1-prop-1-ynylcyclohexan-1-ol
CID 126977532

Frequently Asked Questions

What is the IUPAC name of 1,2-diethylcyclododecane-1-carbaldehyde?
The IUPAC name of 1,2-diethylcyclododecane-1-carbaldehyde (CID 138734450) is 1,2-diethylcyclododecane-1-carbaldehyde.
What is the SMILES notation for 1,2-diethylcyclododecane-1-carbaldehyde?
The canonical SMILES for 1,2-diethylcyclododecane-1-carbaldehyde is CCC1CCCCCCCCCCC1(C=O)CC.
What is the InChIKey of 1,2-diethylcyclododecane-1-carbaldehyde?
The InChIKey is UBVKUEGKTWZENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-3-16-13-11-9-7-5-6-8-10-12-14-17(16,4-2)15-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 1,2-diethylcyclododecane-1-carbaldehyde?
1,2-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 1,2-diethylcyclododecane-1-carbaldehyde is sourced from PubChem (CID 138734450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).