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

C10H16O — CID 1252759

IUPAC2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde
SMILESCC1=CC[C@H](CC=O)C1(C)C
InChIInChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1
InChIKeyOGCGGWYLHSJRFY-SECBINFHSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

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

2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde (PubChem CID 1252759) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde
PubChem CID1252759
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde
SMILESCC1=CC[C@H](CC=O)C1(C)C
InChIInChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1
InChIKeyOGCGGWYLHSJRFY-SECBINFHSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde (CID 1252759) is 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde is CC1=CC[C@H](CC=O)C1(C)C.
What is the InChIKey of 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde?
The InChIKey is OGCGGWYLHSJRFY-SECBINFHSA-N. The full InChI is InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde?
2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde is sourced from PubChem (CID 1252759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).