2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal

C14H22O — CID 21467047

IUPAC2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal
SMILESC=C(CC(C)C=O)C1CC=C(C)C1(C)C
InChIInChI=1S/C14H22O/c1-10(9-15)8-11(2)13-7-6-12(3)14(13,4)5/h6,9-10,13H,2,7-8H2,1,3-5H3
InChIKeyIECMPAIBUCFZDR-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.76
Rot. Bonds4

About 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal

2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal (PubChem CID 21467047) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal.

Molecular Properties

Compound Name2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal
PubChem CID21467047
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal
SMILESC=C(CC(C)C=O)C1CC=C(C)C1(C)C
InChIInChI=1S/C14H22O/c1-10(9-15)8-11(2)13-7-6-12(3)14(13,4)5/h6,9-10,13H,2,7-8H2,1,3-5H3
InChIKeyIECMPAIBUCFZDR-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.76
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-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal?
The IUPAC name of 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal (CID 21467047) is 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal.
What is the SMILES notation for 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal?
The canonical SMILES for 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal is C=C(CC(C)C=O)C1CC=C(C)C1(C)C.
What is the InChIKey of 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal?
The InChIKey is IECMPAIBUCFZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10(9-15)8-11(2)13-7-6-12(3)14(13,4)5/h6,9-10,13H,2,7-8H2,1,3-5H3.
What are the key properties of 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal?
2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal has a molecular weight of 206.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enal is sourced from PubChem (CID 21467047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).