2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde

C12H20O2 — CID 10352654

IUPAC2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde
SMILESCCOCC1=CC[C@H](CC=O)C1(C)C
InChIInChI=1S/C12H20O2/c1-4-14-9-11-6-5-10(7-8-13)12(11,2)3/h6,8,10H,4-5,7,9H2,1-3H3/t10-/m1/s1
InChIKeyDUNGAPVKVQELHF-SNVBAGLBSA-N
MW196.29 g/mol
LogP2.58
Rot. Bonds5

About 2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde

2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde (PubChem CID 10352654) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde
PubChem CID10352654
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde
SMILESCCOCC1=CC[C@H](CC=O)C1(C)C
InChIInChI=1S/C12H20O2/c1-4-14-9-11-6-5-10(7-8-13)12(11,2)3/h6,8,10H,4-5,7,9H2,1-3H3/t10-/m1/s1
InChIKeyDUNGAPVKVQELHF-SNVBAGLBSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde (CID 10352654) is 2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde is CCOCC1=CC[C@H](CC=O)C1(C)C.
What is the InChIKey of 2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde?
The InChIKey is DUNGAPVKVQELHF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-14-9-11-6-5-10(7-8-13)12(11,2)3/h6,8,10H,4-5,7,9H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde?
2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde has a molecular weight of 196.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-(ethoxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]acetaldehyde is sourced from PubChem (CID 10352654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).