1-cyclohexylcyclohexane-1-carbaldehyde

C13H22O — CID 21479214

IUPAC1-cyclohexylcyclohexane-1-carbaldehyde
SMILESO=CC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C13H22O/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h11-12H,1-10H2
InChIKeyOJWXKSDAJCEYDJ-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.72
Rot. Bonds2

About 1-cyclohexylcyclohexane-1-carbaldehyde

1-cyclohexylcyclohexane-1-carbaldehyde (PubChem CID 21479214) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-cyclohexylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-cyclohexylcyclohexane-1-carbaldehyde
PubChem CID21479214
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-cyclohexylcyclohexane-1-carbaldehyde
SMILESO=CC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C13H22O/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h11-12H,1-10H2
InChIKeyOJWXKSDAJCEYDJ-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.72
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-cyclohexylcyclohexane-1-carbaldehyde?
The IUPAC name of 1-cyclohexylcyclohexane-1-carbaldehyde (CID 21479214) is 1-cyclohexylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-cyclohexylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1-cyclohexylcyclohexane-1-carbaldehyde is O=CC1(C2CCCCC2)CCCCC1.
What is the InChIKey of 1-cyclohexylcyclohexane-1-carbaldehyde?
The InChIKey is OJWXKSDAJCEYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h11-12H,1-10H2.
What are the key properties of 1-cyclohexylcyclohexane-1-carbaldehyde?
1-cyclohexylcyclohexane-1-carbaldehyde has a molecular weight of 194.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 21479214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).