1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde

C14H22O2 — CID 154203544

IUPAC1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde
SMILESO=CC1(OC=C2CCCCC2)CCCCC1
InChIInChI=1S/C14H22O2/c15-12-14(9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h11-12H,1-10H2
InChIKeyUZWLQBMETMJKDG-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.75
Rot. Bonds3

About 1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde

1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde (PubChem CID 154203544) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde
PubChem CID154203544
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde
SMILESO=CC1(OC=C2CCCCC2)CCCCC1
InChIInChI=1S/C14H22O2/c15-12-14(9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h11-12H,1-10H2
InChIKeyUZWLQBMETMJKDG-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde?
The IUPAC name of 1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde (CID 154203544) is 1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde is O=CC1(OC=C2CCCCC2)CCCCC1.
What is the InChIKey of 1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde?
The InChIKey is UZWLQBMETMJKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c15-12-14(9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h11-12H,1-10H2.
What are the key properties of 1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde?
1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde has a molecular weight of 222.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylidenemethoxy)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 154203544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).