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

C20H30O — CID 11346708

IUPAC6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCC(C)=CCCC1=CC=C(C=O)C(C)(CCC=C(C)C)C1
InChIInChI=1S/C20H30O/c1-16(2)8-6-10-18-11-12-19(15-21)20(5,14-18)13-7-9-17(3)4/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3
InChIKeyFENFKJSEQOAPKE-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.94
Rot. Bonds7

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

6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 11346708) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID11346708
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCC(C)=CCCC1=CC=C(C=O)C(C)(CCC=C(C)C)C1
InChIInChI=1S/C20H30O/c1-16(2)8-6-10-18-11-12-19(15-21)20(5,14-18)13-7-9-17(3)4/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3
InChIKeyFENFKJSEQOAPKE-UHFFFAOYSA-N
XLogP5.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.94
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-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde (CID 11346708) is 6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde is CC(C)=CCCC1=CC=C(C=O)C(C)(CCC=C(C)C)C1.
What is the InChIKey of 6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is FENFKJSEQOAPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-16(2)8-6-10-18-11-12-19(15-21)20(5,14-18)13-7-9-17(3)4/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3.
What are the key properties of 6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde?
6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 286.46 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 11346708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).