cyclopentane-1,3-dicarbaldehyde

C7H10O2 — CID 14288766

IUPACcyclopentane-1,3-dicarbaldehyde
SMILESO=CC1CCC(C=O)C1
InChIInChI=1S/C7H10O2/c8-4-6-1-2-7(3-6)5-9/h4-7H,1-3H2
InChIKeyJWWOLXQVNVCQSJ-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.80
Rot. Bonds2

About cyclopentane-1,3-dicarbaldehyde

cyclopentane-1,3-dicarbaldehyde (PubChem CID 14288766) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is cyclopentane-1,3-dicarbaldehyde.

Molecular Properties

Compound Namecyclopentane-1,3-dicarbaldehyde
PubChem CID14288766
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Namecyclopentane-1,3-dicarbaldehyde
SMILESO=CC1CCC(C=O)C1
InChIInChI=1S/C7H10O2/c8-4-6-1-2-7(3-6)5-9/h4-7H,1-3H2
InChIKeyJWWOLXQVNVCQSJ-UHFFFAOYSA-N
XLogP0.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentane-1,3-dicarbaldehyde?
The IUPAC name of cyclopentane-1,3-dicarbaldehyde (CID 14288766) is cyclopentane-1,3-dicarbaldehyde.
What is the SMILES notation for cyclopentane-1,3-dicarbaldehyde?
The canonical SMILES for cyclopentane-1,3-dicarbaldehyde is O=CC1CCC(C=O)C1.
What is the InChIKey of cyclopentane-1,3-dicarbaldehyde?
The InChIKey is JWWOLXQVNVCQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-4-6-1-2-7(3-6)5-9/h4-7H,1-3H2.
What are the key properties of cyclopentane-1,3-dicarbaldehyde?
cyclopentane-1,3-dicarbaldehyde has a molecular weight of 126.16 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane-1,3-dicarbaldehyde is sourced from PubChem (CID 14288766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).