2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde

C14H20O3 — CID 140988351

IUPAC2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde
SMILESO=CC(OCCO)(C1=CCCC1)C1=CCCC1
InChIInChI=1S/C14H20O3/c15-9-10-17-14(11-16,12-5-1-2-6-12)13-7-3-4-8-13/h5,7,11,15H,1-4,6,8-10H2
InChIKeyWXMUKEUPKHLKQU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.15
Rot. Bonds6

About 2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde

2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde (PubChem CID 140988351) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde.

Molecular Properties

Compound Name2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde
PubChem CID140988351
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde
SMILESO=CC(OCCO)(C1=CCCC1)C1=CCCC1
InChIInChI=1S/C14H20O3/c15-9-10-17-14(11-16,12-5-1-2-6-12)13-7-3-4-8-13/h5,7,11,15H,1-4,6,8-10H2
InChIKeyWXMUKEUPKHLKQU-UHFFFAOYSA-N
XLogP2.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1,1-Di(cyclopenten-1-yl)-2-oxoethyl] acetate
CID 140988348

Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde?
The IUPAC name of 2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde (CID 140988351) is 2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde.
What is the SMILES notation for 2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde?
The canonical SMILES for 2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde is O=CC(OCCO)(C1=CCCC1)C1=CCCC1.
What is the InChIKey of 2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde?
The InChIKey is WXMUKEUPKHLKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c15-9-10-17-14(11-16,12-5-1-2-6-12)13-7-3-4-8-13/h5,7,11,15H,1-4,6,8-10H2.
What are the key properties of 2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde?
2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde has a molecular weight of 236.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclopenten-1-yl)-2-(2-hydroxyethoxy)acetaldehyde is sourced from PubChem (CID 140988351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).