1-(methoxymethyl)cyclopentane-1-carbaldehyde

C8H14O2 — CID 88943345

IUPAC1-(methoxymethyl)cyclopentane-1-carbaldehyde
SMILESCOCC1(C=O)CCCC1
InChIInChI=1S/C8H14O2/c1-10-7-8(6-9)4-2-3-5-8/h6H,2-5,7H2,1H3
InChIKeyPTVMSZMCUAZURD-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds3

About 1-(methoxymethyl)cyclopentane-1-carbaldehyde

1-(methoxymethyl)cyclopentane-1-carbaldehyde (PubChem CID 88943345) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(methoxymethyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-(methoxymethyl)cyclopentane-1-carbaldehyde
PubChem CID88943345
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-(methoxymethyl)cyclopentane-1-carbaldehyde
SMILESCOCC1(C=O)CCCC1
InChIInChI=1S/C8H14O2/c1-10-7-8(6-9)4-2-3-5-8/h6H,2-5,7H2,1H3
InChIKeyPTVMSZMCUAZURD-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
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-(methoxymethyl)cyclopentane-1-carbaldehyde?
The IUPAC name of 1-(methoxymethyl)cyclopentane-1-carbaldehyde (CID 88943345) is 1-(methoxymethyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-(methoxymethyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-(methoxymethyl)cyclopentane-1-carbaldehyde is COCC1(C=O)CCCC1.
What is the InChIKey of 1-(methoxymethyl)cyclopentane-1-carbaldehyde?
The InChIKey is PTVMSZMCUAZURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-10-7-8(6-9)4-2-3-5-8/h6H,2-5,7H2,1H3.
What are the key properties of 1-(methoxymethyl)cyclopentane-1-carbaldehyde?
1-(methoxymethyl)cyclopentane-1-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 88943345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).