6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde

C15H24O — CID 174431333

IUPAC6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
SMILESCC1(C)C=CC(C=O)C(C2CCCCC2)C1
InChIInChI=1S/C15H24O/c1-15(2)9-8-13(11-16)14(10-15)12-6-4-3-5-7-12/h8-9,11-14H,3-7,10H2,1-2H3
InChIKeyIYRBAKRQHOFUDY-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds2

About 6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde

6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde (PubChem CID 174431333) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
PubChem CID174431333
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
SMILESCC1(C)C=CC(C=O)C(C2CCCCC2)C1
InChIInChI=1S/C15H24O/c1-15(2)9-8-13(11-16)14(10-15)12-6-4-3-5-7-12/h8-9,11-14H,3-7,10H2,1-2H3
InChIKeyIYRBAKRQHOFUDY-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde (CID 174431333) is 6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde is CC1(C)C=CC(C=O)C(C2CCCCC2)C1.
What is the InChIKey of 6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
The InChIKey is IYRBAKRQHOFUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-15(2)9-8-13(11-16)14(10-15)12-6-4-3-5-7-12/h8-9,11-14H,3-7,10H2,1-2H3.
What are the key properties of 6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde?
6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde has a molecular weight of 220.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4,4-dimethylcyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 174431333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).