1-ethoxycyclopentane-1-carbaldehyde

C8H14O2 — CID 105428359

IUPAC1-ethoxycyclopentane-1-carbaldehyde
SMILESCCOC1(C=O)CCCC1
InChIInChI=1S/C8H14O2/c1-2-10-8(7-9)5-3-4-6-8/h7H,2-6H2,1H3
InChIKeyZZURGOUTZPDQHM-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.53
Rot. Bonds3

About 1-ethoxycyclopentane-1-carbaldehyde

1-ethoxycyclopentane-1-carbaldehyde (PubChem CID 105428359) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-ethoxycyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-ethoxycyclopentane-1-carbaldehyde
PubChem CID105428359
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-ethoxycyclopentane-1-carbaldehyde
SMILESCCOC1(C=O)CCCC1
InChIInChI=1S/C8H14O2/c1-2-10-8(7-9)5-3-4-6-8/h7H,2-6H2,1H3
InChIKeyZZURGOUTZPDQHM-UHFFFAOYSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.53
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 1-ethoxycyclopentane-1-carbaldehyde?
The IUPAC name of 1-ethoxycyclopentane-1-carbaldehyde (CID 105428359) is 1-ethoxycyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-ethoxycyclopentane-1-carbaldehyde?
The canonical SMILES for 1-ethoxycyclopentane-1-carbaldehyde is CCOC1(C=O)CCCC1.
What is the InChIKey of 1-ethoxycyclopentane-1-carbaldehyde?
The InChIKey is ZZURGOUTZPDQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-10-8(7-9)5-3-4-6-8/h7H,2-6H2,1H3.
What are the key properties of 1-ethoxycyclopentane-1-carbaldehyde?
1-ethoxycyclopentane-1-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxycyclopentane-1-carbaldehyde is sourced from PubChem (CID 105428359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).