2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde

C9H16O2 — CID 88715600

IUPAC2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde
SMILESCC[C@@H]1CC[C@@H](O)[C@H]1CC=O
InChIInChI=1S/C9H16O2/c1-2-7-3-4-9(11)8(7)5-6-10/h6-9,11H,2-5H2,1H3/t7-,8+,9-/m1/s1
InChIKeyNCCCTXYHVGVFMQ-HRDYMLBCSA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds3

About 2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde

2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde (PubChem CID 88715600) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde
PubChem CID88715600
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde
SMILESCC[C@@H]1CC[C@@H](O)[C@H]1CC=O
InChIInChI=1S/C9H16O2/c1-2-7-3-4-9(11)8(7)5-6-10/h6-9,11H,2-5H2,1H3/t7-,8+,9-/m1/s1
InChIKeyNCCCTXYHVGVFMQ-HRDYMLBCSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde?
The IUPAC name of 2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde (CID 88715600) is 2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde?
The canonical SMILES for 2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde is CC[C@@H]1CC[C@@H](O)[C@H]1CC=O.
What is the InChIKey of 2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde?
The InChIKey is NCCCTXYHVGVFMQ-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-7-3-4-9(11)8(7)5-6-10/h6-9,11H,2-5H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of 2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde?
2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde has a molecular weight of 156.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,5R)-2-ethyl-5-hydroxycyclopentyl]acetaldehyde is sourced from PubChem (CID 88715600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).