5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde

C13H18O2 — CID 123443959

IUPAC5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde
SMILESO=CC1=CCCC(OC2=CCCCC2)C1
InChIInChI=1S/C13H18O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h5-6,10,13H,1-4,7-9H2
InChIKeySMJWHZGTCDISFZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.14
Rot. Bonds3

About 5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde

5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde (PubChem CID 123443959) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde
PubChem CID123443959
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde
SMILESO=CC1=CCCC(OC2=CCCCC2)C1
InChIInChI=1S/C13H18O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h5-6,10,13H,1-4,7-9H2
InChIKeySMJWHZGTCDISFZ-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.14
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 5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde?
The IUPAC name of 5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde (CID 123443959) is 5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde.
What is the SMILES notation for 5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde?
The canonical SMILES for 5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde is O=CC1=CCCC(OC2=CCCCC2)C1.
What is the InChIKey of 5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde?
The InChIKey is SMJWHZGTCDISFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h5-6,10,13H,1-4,7-9H2.
What are the key properties of 5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde?
5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde has a molecular weight of 206.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde is sourced from PubChem (CID 123443959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).