(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde

C8H10O — CID 89362390

IUPAC(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
SMILESC[C@H]1C=CC(C=O)=CC1
InChIInChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2,4-7H,3H2,1H3/t7-/m0/s1
InChIKeyAOHWWLOSGOHUOT-ZETCQYMHSA-N
MW122.17 g/mol
LogP1.71
Rot. Bonds1

About (4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde

(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde (PubChem CID 89362390) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
PubChem CID89362390
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
SMILESC[C@H]1C=CC(C=O)=CC1
InChIInChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2,4-7H,3H2,1H3/t7-/m0/s1
InChIKeyAOHWWLOSGOHUOT-ZETCQYMHSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)cyclohexa-1,5-diene-1-carbaldehyde
CID 154546516
2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene
CID 123434042
2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
4-(5-methoxypyrimidin-2-yl)cyclohexa-1,5-diene-1-carbaldehyde
CID 163484686
5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene
CID 163741635
N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine
CID 145306811
tert-butyl 2-(4-formylcyclohexa-2,4-dien-1-yl)acetate
CID 100933893
4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline
CID 71179678
N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline
CID 89020124
ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene
CID 143084783
4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,5-diene-1-carbaldehyde
CID 145172633
2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine
CID 163641813

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde?
The IUPAC name of (4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde (CID 89362390) is (4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde.
What is the SMILES notation for (4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde?
The canonical SMILES for (4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde is C[C@H]1C=CC(C=O)=CC1.
What is the InChIKey of (4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde?
The InChIKey is AOHWWLOSGOHUOT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2,4-7H,3H2,1H3/t7-/m0/s1.
What are the key properties of (4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde?
(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde has a molecular weight of 122.17 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde is sourced from PubChem (CID 89362390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).