5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde

C10H10O — CID 105428926

IUPAC5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
SMILESCc1cccc2c1C(C=O)C2
InChIInChI=1S/C10H10O/c1-7-3-2-4-8-5-9(6-11)10(7)8/h2-4,6,9H,5H2,1H3
InChIKeyFPHUBLLYCUZFLU-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.83
Rot. Bonds1

About 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde

5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde (PubChem CID 105428926) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde.

Molecular Properties

Compound Name5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
PubChem CID105428926
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
SMILESCc1cccc2c1C(C=O)C2
InChIInChI=1S/C10H10O/c1-7-3-2-4-8-5-9(6-11)10(7)8/h2-4,6,9H,5H2,1H3
InChIKeyFPHUBLLYCUZFLU-UHFFFAOYSA-N
XLogP1.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.83
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

8-methoxy-2-methylbicyclo[4.2.0]octa-1,3,5-triene
CID 105429225
1-ethenyl-7-methyl-2,3-dihydro-1H-indene
CID 13253200
(1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 99642443
1,8-dimethyl-9H-fluorene-9-carbaldehyde
CID 174591685
ethane;methanol;4-methyl-2,3-dihydro-1H-indene-2-carbaldehyde
CID 143584856
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
5-(2,6-dimethylphenyl)cyclohexane-1,3-dione
CID 52939086
ethane;8-methyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]furan
CID 144690001
8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde
CID 83907482
7-propoxy-2,3-dihydro-1H-indene-1-carbaldehyde
CID 87884769
7-methyl-2-[(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanylmethyl]-2,3-dihydro-1-benzofuran
CID 134811657
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 63448687

Frequently Asked Questions

What is the IUPAC name of 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde?
The IUPAC name of 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde (CID 105428926) is 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde.
What is the SMILES notation for 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde?
The canonical SMILES for 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde is Cc1cccc2c1C(C=O)C2.
What is the InChIKey of 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde?
The InChIKey is FPHUBLLYCUZFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-7-3-2-4-8-5-9(6-11)10(7)8/h2-4,6,9H,5H2,1H3.
What are the key properties of 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde?
5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde has a molecular weight of 146.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde is sourced from PubChem (CID 105428926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).