1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde

C8H12O2 — CID 138987476

IUPAC1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde
SMILESCOCC1(C=O)CC=CC1
InChIInChI=1S/C8H12O2/c1-10-7-8(6-9)4-2-3-5-8/h2-3,6H,4-5,7H2,1H3
InChIKeyMATKIWNRGZUHOU-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.17
Rot. Bonds3

About 1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde

1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde (PubChem CID 138987476) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde
PubChem CID138987476
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde
SMILESCOCC1(C=O)CC=CC1
InChIInChI=1S/C8H12O2/c1-10-7-8(6-9)4-2-3-5-8/h2-3,6H,4-5,7H2,1H3
InChIKeyMATKIWNRGZUHOU-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methylcyclopent-3-ene-1-carbaldehyde
CID 87664346
1-[1-(Methoxymethyl)cyclopent-3-en-1-yl]ethan-1-one
CID 146155620
1,2,2-Trimethylcyclopent-3-ene-1-carbaldehyde
CID 130026346
Ethyl 1-formylcyclopent-3-ene-1-carboxylate
CID 88269202
2-(1-Ethylcyclopent-3-en-1-yl)acetaldehyde
CID 178083186
(1-Methylcyclopent-3-en-1-yl)acetaldehyde
CID 71396194
3-(3-Methylbut-2-en-1-yl)oxolane-3-carbaldehyde
CID 131025290
3-(But-2-en-1-yl)oxolane-3-carbaldehyde
CID 131243834

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde?
The IUPAC name of 1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde (CID 138987476) is 1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde.
What is the SMILES notation for 1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde?
The canonical SMILES for 1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde is COCC1(C=O)CC=CC1.
What is the InChIKey of 1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde?
The InChIKey is MATKIWNRGZUHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-10-7-8(6-9)4-2-3-5-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde?
1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde is sourced from PubChem (CID 138987476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).