(5S)-5-methylcyclopentene-1-carbaldehyde

C7H10O — CID 101259456

IUPAC(5S)-5-methylcyclopentene-1-carbaldehyde
SMILESC[C@H]1CCC=C1C=O
InChIInChI=1S/C7H10O/c1-6-3-2-4-7(6)5-8/h4-6H,2-3H2,1H3/t6-/m0/s1
InChIKeyAXYQVSMERIHUIB-LURJTMIESA-N
MW110.16 g/mol
LogP1.54
Rot. Bonds1

About (5S)-5-methylcyclopentene-1-carbaldehyde

(5S)-5-methylcyclopentene-1-carbaldehyde (PubChem CID 101259456) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (5S)-5-methylcyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name(5S)-5-methylcyclopentene-1-carbaldehyde
PubChem CID101259456
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(5S)-5-methylcyclopentene-1-carbaldehyde
SMILESC[C@H]1CCC=C1C=O
InChIInChI=1S/C7H10O/c1-6-3-2-4-7(6)5-8/h4-6H,2-3H2,1H3/t6-/m0/s1
InChIKeyAXYQVSMERIHUIB-LURJTMIESA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.54
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 (5S)-5-methylcyclopentene-1-carbaldehyde?
The IUPAC name of (5S)-5-methylcyclopentene-1-carbaldehyde (CID 101259456) is (5S)-5-methylcyclopentene-1-carbaldehyde.
What is the SMILES notation for (5S)-5-methylcyclopentene-1-carbaldehyde?
The canonical SMILES for (5S)-5-methylcyclopentene-1-carbaldehyde is C[C@H]1CCC=C1C=O.
What is the InChIKey of (5S)-5-methylcyclopentene-1-carbaldehyde?
The InChIKey is AXYQVSMERIHUIB-LURJTMIESA-N. The full InChI is InChI=1S/C7H10O/c1-6-3-2-4-7(6)5-8/h4-6H,2-3H2,1H3/t6-/m0/s1.
What are the key properties of (5S)-5-methylcyclopentene-1-carbaldehyde?
(5S)-5-methylcyclopentene-1-carbaldehyde has a molecular weight of 110.16 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methylcyclopentene-1-carbaldehyde is sourced from PubChem (CID 101259456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).