cyclohexene-1-carbaldehyde

C7H10O — CID 5184540

IUPACcyclohexene-1-carbaldehyde
SMILESO=CC1=CCCCC1
InChIInChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h4,6H,1-3,5H2
InChIKeyOANSOJSBHVENEI-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.69
Rot. Bonds1

About cyclohexene-1-carbaldehyde

cyclohexene-1-carbaldehyde (PubChem CID 5184540) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Namecyclohexene-1-carbaldehyde
PubChem CID5184540
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Namecyclohexene-1-carbaldehyde
SMILESO=CC1=CCCCC1
InChIInChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h4,6H,1-3,5H2
InChIKeyOANSOJSBHVENEI-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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 cyclohexene-1-carbaldehyde?
The IUPAC name of cyclohexene-1-carbaldehyde (CID 5184540) is cyclohexene-1-carbaldehyde.
What is the SMILES notation for cyclohexene-1-carbaldehyde?
The canonical SMILES for cyclohexene-1-carbaldehyde is O=CC1=CCCCC1.
What is the InChIKey of cyclohexene-1-carbaldehyde?
The InChIKey is OANSOJSBHVENEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h4,6H,1-3,5H2.
What are the key properties of cyclohexene-1-carbaldehyde?
cyclohexene-1-carbaldehyde has a molecular weight of 110.16 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1-carbaldehyde is sourced from PubChem (CID 5184540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).