6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde

C14H20O — CID 24858674

IUPAC6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCC(C)=CCCC1=CC=C(C=O)C(C)C1
InChIInChI=1S/C14H20O/c1-11(2)5-4-6-13-7-8-14(10-15)12(3)9-13/h5,7-8,10,12H,4,6,9H2,1-3H3
InChIKeyUQNKRJKKVNKJNB-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.82
Rot. Bonds4

About 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde

6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24858674) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24858674
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCC(C)=CCCC1=CC=C(C=O)C(C)C1
InChIInChI=1S/C14H20O/c1-11(2)5-4-6-13-7-8-14(10-15)12(3)9-13/h5,7-8,10,12H,4,6,9H2,1-3H3
InChIKeyUQNKRJKKVNKJNB-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.82
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-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde (CID 24858674) is 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde is CC(C)=CCCC1=CC=C(C=O)C(C)C1.
What is the InChIKey of 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is UQNKRJKKVNKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11(2)5-4-6-13-7-8-14(10-15)12(3)9-13/h5,7-8,10,12H,4,6,9H2,1-3H3.
What are the key properties of 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde?
6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 204.31 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24858674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).