cyclopentanecarbaldehyde;methyl heptanoate

C14H26O3 — CID 143522930

IUPACcyclopentanecarbaldehyde;methyl heptanoate
SMILESCCCCCCC(=O)OC.O=CC1CCCC1
InChIInChI=1S/C8H16O2.C6H10O/c1-3-4-5-6-7-8(9)10-2;7-5-6-3-1-2-4-6/h3-7H2,1-2H3;5-6H,1-4H2
InChIKeyTYDNGOLUWWSIGH-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.51
Rot. Bonds6

About cyclopentanecarbaldehyde;methyl heptanoate

cyclopentanecarbaldehyde;methyl heptanoate (PubChem CID 143522930) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is cyclopentanecarbaldehyde;methyl heptanoate.

Molecular Properties

Compound Namecyclopentanecarbaldehyde;methyl heptanoate
PubChem CID143522930
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Namecyclopentanecarbaldehyde;methyl heptanoate
SMILESCCCCCCC(=O)OC.O=CC1CCCC1
InChIInChI=1S/C8H16O2.C6H10O/c1-3-4-5-6-7-8(9)10-2;7-5-6-3-1-2-4-6/h3-7H2,1-2H3;5-6H,1-4H2
InChIKeyTYDNGOLUWWSIGH-UHFFFAOYSA-N
XLogP3.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclopentanecarbaldehyde;methyl heptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexanecarbaldehyde;formaldehyde;hexane;hydroperoxymethane;octane
CID 142384016
methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl heptanoate;dihydrochloride
CID 140971064
CID 159528754
CID 159528754
methyl nonanoate;hydrochloride
CID 141151355
methanol;methyl decanoate
CID 174459243
potassium;hydride;methyl octadecanoate
CID 175153010
ethane;methyl hexanoate
CID 159004993
cyclohexanol;dimethyl hexanedioate
CID 19805859

Frequently Asked Questions

What is the IUPAC name of cyclopentanecarbaldehyde;methyl heptanoate?
The IUPAC name of cyclopentanecarbaldehyde;methyl heptanoate (CID 143522930) is cyclopentanecarbaldehyde;methyl heptanoate.
What is the SMILES notation for cyclopentanecarbaldehyde;methyl heptanoate?
The canonical SMILES for cyclopentanecarbaldehyde;methyl heptanoate is CCCCCCC(=O)OC.O=CC1CCCC1.
What is the InChIKey of cyclopentanecarbaldehyde;methyl heptanoate?
The InChIKey is TYDNGOLUWWSIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H10O/c1-3-4-5-6-7-8(9)10-2;7-5-6-3-1-2-4-6/h3-7H2,1-2H3;5-6H,1-4H2.
What are the key properties of cyclopentanecarbaldehyde;methyl heptanoate?
cyclopentanecarbaldehyde;methyl heptanoate has a molecular weight of 242.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarbaldehyde;methyl heptanoate is sourced from PubChem (CID 143522930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).