4-cycloheptylcyclohexane-1-carbaldehyde

C14H24O — CID 118360341

IUPAC4-cycloheptylcyclohexane-1-carbaldehyde
SMILESO=CC1CCC(C2CCCCCC2)CC1
InChIInChI=1S/C14H24O/c15-11-12-7-9-14(10-8-12)13-5-3-1-2-4-6-13/h11-14H,1-10H2
InChIKeyOUMNECKVFNIDFN-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.96
Rot. Bonds2

About 4-cycloheptylcyclohexane-1-carbaldehyde

4-cycloheptylcyclohexane-1-carbaldehyde (PubChem CID 118360341) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 4-cycloheptylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-cycloheptylcyclohexane-1-carbaldehyde
PubChem CID118360341
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name4-cycloheptylcyclohexane-1-carbaldehyde
SMILESO=CC1CCC(C2CCCCCC2)CC1
InChIInChI=1S/C14H24O/c15-11-12-7-9-14(10-8-12)13-5-3-1-2-4-6-13/h11-14H,1-10H2
InChIKeyOUMNECKVFNIDFN-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.96
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 4-cycloheptylcyclohexane-1-carbaldehyde?
The IUPAC name of 4-cycloheptylcyclohexane-1-carbaldehyde (CID 118360341) is 4-cycloheptylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-cycloheptylcyclohexane-1-carbaldehyde?
The canonical SMILES for 4-cycloheptylcyclohexane-1-carbaldehyde is O=CC1CCC(C2CCCCCC2)CC1.
What is the InChIKey of 4-cycloheptylcyclohexane-1-carbaldehyde?
The InChIKey is OUMNECKVFNIDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c15-11-12-7-9-14(10-8-12)13-5-3-1-2-4-6-13/h11-14H,1-10H2.
What are the key properties of 4-cycloheptylcyclohexane-1-carbaldehyde?
4-cycloheptylcyclohexane-1-carbaldehyde has a molecular weight of 208.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 118360341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).