(6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde

C11H16O — CID 23655980

IUPAC(6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC[C@H]1C(C=O)=CC=C(C)C1C
InChIInChI=1S/C11H16O/c1-4-11-9(3)8(2)5-6-10(11)7-12/h5-7,9,11H,4H2,1-3H3/t9?,11-/m1/s1
InChIKeyOZTFPPAOFLMACJ-HCCKASOXSA-N
MW164.25 g/mol
LogP2.73
Rot. Bonds2

About (6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde

(6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 23655980) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name(6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID23655980
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC[C@H]1C(C=O)=CC=C(C)C1C
InChIInChI=1S/C11H16O/c1-4-11-9(3)8(2)5-6-10(11)7-12/h5-7,9,11H,4H2,1-3H3/t9?,11-/m1/s1
InChIKeyOZTFPPAOFLMACJ-HCCKASOXSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.73
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 (6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of (6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde (CID 23655980) is (6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for (6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for (6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde is CC[C@H]1C(C=O)=CC=C(C)C1C.
What is the InChIKey of (6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is OZTFPPAOFLMACJ-HCCKASOXSA-N. The full InChI is InChI=1S/C11H16O/c1-4-11-9(3)8(2)5-6-10(11)7-12/h5-7,9,11H,4H2,1-3H3/t9?,11-/m1/s1.
What are the key properties of (6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde?
(6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 164.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-ethyl-4,5-dimethylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 23655980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).