2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde

C9H16O2 — CID 114795390

IUPAC2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde
SMILESCCC1CCCC1(O)CC=O
InChIInChI=1S/C9H16O2/c1-2-8-4-3-5-9(8,11)6-7-10/h7-8,11H,2-6H2,1H3
InChIKeyYJUJBIPPSAHKEU-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds3

About 2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde

2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde (PubChem CID 114795390) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde
PubChem CID114795390
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde
SMILESCCC1CCCC1(O)CC=O
InChIInChI=1S/C9H16O2/c1-2-8-4-3-5-9(8,11)6-7-10/h7-8,11H,2-6H2,1H3
InChIKeyYJUJBIPPSAHKEU-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alumane;1,2-diethylcyclopentan-1-ol
CID 174746701
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde
CID 106875208
2-ethyl-1-hydroxycyclopentane-1-sulfonic acid
CID 103574067
trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol
CID 135054569
2-[2-(benzylperoxymethyl)-1-hydroxycyclopentyl]acetaldehyde
CID 88863431
2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol
CID 65149543
2-ethyl-1-nonylcyclohexan-1-ol
CID 65149326
1-ethyl-2-(2-methylpropyl)cyclopentan-1-ol
CID 118116479
2-(1-ethylcyclobutyl)acetaldehyde
CID 130601222
1,2-diethylcyclohexane-1-carbaldehyde
CID 138734421
2-ethyl-1-sulfanylcyclohexan-1-ol
CID 20564659

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde?
The IUPAC name of 2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde (CID 114795390) is 2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde.
What is the SMILES notation for 2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde?
The canonical SMILES for 2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde is CCC1CCCC1(O)CC=O.
What is the InChIKey of 2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde?
The InChIKey is YJUJBIPPSAHKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-8-4-3-5-9(8,11)6-7-10/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde?
2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde has a molecular weight of 156.22 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde is sourced from PubChem (CID 114795390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).