1-methylcyclopentane-1-carbaldehyde

C7H12O — CID 11007847

IUPAC1-methylcyclopentane-1-carbaldehyde
SMILESCC1(C=O)CCCC1
InChIInChI=1S/C7H12O/c1-7(6-8)4-2-3-5-7/h6H,2-5H2,1H3
InChIKeyZUGYJALETFVYJV-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.77
Rot. Bonds1

About 1-methylcyclopentane-1-carbaldehyde

1-methylcyclopentane-1-carbaldehyde (PubChem CID 11007847) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 1-methylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-methylcyclopentane-1-carbaldehyde
PubChem CID11007847
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name1-methylcyclopentane-1-carbaldehyde
SMILESCC1(C=O)CCCC1
InChIInChI=1S/C7H12O/c1-7(6-8)4-2-3-5-7/h6H,2-5H2,1H3
InChIKeyZUGYJALETFVYJV-UHFFFAOYSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylcyclopentane-1-carbaldehyde?
The IUPAC name of 1-methylcyclopentane-1-carbaldehyde (CID 11007847) is 1-methylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-methylcyclopentane-1-carbaldehyde?
The canonical SMILES for 1-methylcyclopentane-1-carbaldehyde is CC1(C=O)CCCC1.
What is the InChIKey of 1-methylcyclopentane-1-carbaldehyde?
The InChIKey is ZUGYJALETFVYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-7(6-8)4-2-3-5-7/h6H,2-5H2,1H3.
What are the key properties of 1-methylcyclopentane-1-carbaldehyde?
1-methylcyclopentane-1-carbaldehyde has a molecular weight of 112.17 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 11007847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).