5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal

C14H24O — CID 87388406

IUPAC5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal
SMILESCC(C)=CCC1(CCCCC=O)CCC1
InChIInChI=1S/C14H24O/c1-13(2)7-11-14(9-6-10-14)8-4-3-5-12-15/h7,12H,3-6,8-11H2,1-2H3
InChIKeyMDJIZPZTRAEWLU-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.27
Rot. Bonds7

About 5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal

5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal (PubChem CID 87388406) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal.

Molecular Properties

Compound Name5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal
PubChem CID87388406
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal
SMILESCC(C)=CCC1(CCCCC=O)CCC1
InChIInChI=1S/C14H24O/c1-13(2)7-11-14(9-6-10-14)8-4-3-5-12-15/h7,12H,3-6,8-11H2,1-2H3
InChIKeyMDJIZPZTRAEWLU-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal?
The IUPAC name of 5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal (CID 87388406) is 5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal.
What is the SMILES notation for 5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal?
The canonical SMILES for 5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal is CC(C)=CCC1(CCCCC=O)CCC1.
What is the InChIKey of 5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal?
The InChIKey is MDJIZPZTRAEWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-13(2)7-11-14(9-6-10-14)8-4-3-5-12-15/h7,12H,3-6,8-11H2,1-2H3.
What are the key properties of 5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal?
5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal has a molecular weight of 208.34 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal is sourced from PubChem (CID 87388406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).