2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde

C15H24O2 — CID 101062111

IUPAC2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde
SMILESCCC(=O)C(C)CC1=CC(C)(C)[C@@H](CC=O)C1
InChIInChI=1S/C15H24O2/c1-5-14(17)11(2)8-12-9-13(6-7-16)15(3,4)10-12/h7,10-11,13H,5-6,8-9H2,1-4H3/t11?,13-/m0/s1
InChIKeyPMUIHEIDQNPFFK-YUZLPWPTSA-N
MW236.35 g/mol
LogP3.55
Rot. Bonds6

About 2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde

2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde (PubChem CID 101062111) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde
PubChem CID101062111
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde
SMILESCCC(=O)C(C)CC1=CC(C)(C)[C@@H](CC=O)C1
InChIInChI=1S/C15H24O2/c1-5-14(17)11(2)8-12-9-13(6-7-16)15(3,4)10-12/h7,10-11,13H,5-6,8-9H2,1-4H3/t11?,13-/m0/s1
InChIKeyPMUIHEIDQNPFFK-YUZLPWPTSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.55
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)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde (CID 101062111) is 2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde is CCC(=O)C(C)CC1=CC(C)(C)[C@@H](CC=O)C1.
What is the InChIKey of 2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde?
The InChIKey is PMUIHEIDQNPFFK-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-14(17)11(2)8-12-9-13(6-7-16)15(3,4)10-12/h7,10-11,13H,5-6,8-9H2,1-4H3/t11?,13-/m0/s1.
What are the key properties of 2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde?
2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde has a molecular weight of 236.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2-dimethyl-4-(2-methyl-3-oxopentyl)cyclopent-3-en-1-yl]acetaldehyde is sourced from PubChem (CID 101062111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).