1,3-diethylcyclopentane-1-carbaldehyde

C10H18O — CID 126998053

IUPAC1,3-diethylcyclopentane-1-carbaldehyde
SMILESCCC1CCC(C=O)(CC)C1
InChIInChI=1S/C10H18O/c1-3-9-5-6-10(4-2,7-9)8-11/h8-9H,3-7H2,1-2H3
InChIKeyYDJXBEHBZKOHST-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds3

About 1,3-diethylcyclopentane-1-carbaldehyde

1,3-diethylcyclopentane-1-carbaldehyde (PubChem CID 126998053) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1,3-diethylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1,3-diethylcyclopentane-1-carbaldehyde
PubChem CID126998053
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1,3-diethylcyclopentane-1-carbaldehyde
SMILESCCC1CCC(C=O)(CC)C1
InChIInChI=1S/C10H18O/c1-3-9-5-6-10(4-2,7-9)8-11/h8-9H,3-7H2,1-2H3
InChIKeyYDJXBEHBZKOHST-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
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-(chloromethyl)-3-ethylcyclohexane-1-carbaldehyde
CID 131189795
(1R,5S)-3-ethylbicyclo[3.2.0]heptane-3-carbaldehyde
CID 58619266
1-ethyl-3-fluorocyclobutane-1-carbaldehyde
CID 58564865
4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde
CID 130647227
3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde
CID 130585007
1-ethenyl-3-ethylcyclopentan-1-ol
CID 65419295
2-[1-(aminomethyl)-3-ethylcyclopentyl]-2-hydroxypropanal
CID 79125297
1-butyl-1,3-diethylcyclopentane
CID 144986630
(4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 54221269
(3-ethyl-1-methylcyclopentyl)methanamine
CID 65407293
3-ethyl-1-methyl-1-propan-2-ylcyclopentane
CID 91433980
1,4-diethyl-1-methylcyclohexane;ethane
CID 144637328

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylcyclopentane-1-carbaldehyde?
The IUPAC name of 1,3-diethylcyclopentane-1-carbaldehyde (CID 126998053) is 1,3-diethylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 1,3-diethylcyclopentane-1-carbaldehyde?
The canonical SMILES for 1,3-diethylcyclopentane-1-carbaldehyde is CCC1CCC(C=O)(CC)C1.
What is the InChIKey of 1,3-diethylcyclopentane-1-carbaldehyde?
The InChIKey is YDJXBEHBZKOHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-9-5-6-10(4-2,7-9)8-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 1,3-diethylcyclopentane-1-carbaldehyde?
1,3-diethylcyclopentane-1-carbaldehyde has a molecular weight of 154.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 126998053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).