bicyclo[2.2.0]hexane-1-carbaldehyde

C7H10O — CID 534324

IUPACbicyclo[2.2.0]hexane-1-carbaldehyde
SMILESO=CC12CCC1CC2
InChIInChI=1S/C7H10O/c8-5-7-3-1-6(7)2-4-7/h5-6H,1-4H2
InChIKeyVGTQPUNAYLVUSS-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.38
Rot. Bonds1

About bicyclo[2.2.0]hexane-1-carbaldehyde

bicyclo[2.2.0]hexane-1-carbaldehyde (PubChem CID 534324) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is bicyclo[2.2.0]hexane-1-carbaldehyde.

Molecular Properties

Compound Namebicyclo[2.2.0]hexane-1-carbaldehyde
PubChem CID534324
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Namebicyclo[2.2.0]hexane-1-carbaldehyde
SMILESO=CC12CCC1CC2
InChIInChI=1S/C7H10O/c8-5-7-3-1-6(7)2-4-7/h5-6H,1-4H2
InChIKeyVGTQPUNAYLVUSS-UHFFFAOYSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.38
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

1-cyclopropylcyclopentane-1-carbaldehyde
CID 131143275
1-cyclohexylcyclohexane-1-carbaldehyde
CID 21479214
1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde
CID 130700511
1-cyclopropyl-3-methylcyclopentane-1-carbaldehyde
CID 130680477
1-cyclobutyl-4-methylcyclohexane-1-carbaldehyde
CID 131027775
4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde
CID 130647229
5-cyclohexyl-2,2-dimethyl-1,3-dioxane-5-carbaldehyde
CID 19904425
3-cyclopropyl-2,4-dihydrochromene-3-carbaldehyde
CID 130632278
1-(2-hydroxycyclopentyl)cyclopropane-1-carbaldehyde
CID 130646380
1-[4-[4-(3-fluoropropyl)phenyl]cyclohexyl]cyclohexane-1-carbaldehyde
CID 139715359
1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde
CID 130697908
(1S,5R)-3-oxabicyclo[3.1.0]hexane-1-carbaldehyde
CID 129497690

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexane-1-carbaldehyde?
The IUPAC name of bicyclo[2.2.0]hexane-1-carbaldehyde (CID 534324) is bicyclo[2.2.0]hexane-1-carbaldehyde.
What is the SMILES notation for bicyclo[2.2.0]hexane-1-carbaldehyde?
The canonical SMILES for bicyclo[2.2.0]hexane-1-carbaldehyde is O=CC12CCC1CC2.
What is the InChIKey of bicyclo[2.2.0]hexane-1-carbaldehyde?
The InChIKey is VGTQPUNAYLVUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c8-5-7-3-1-6(7)2-4-7/h5-6H,1-4H2.
What are the key properties of bicyclo[2.2.0]hexane-1-carbaldehyde?
bicyclo[2.2.0]hexane-1-carbaldehyde has a molecular weight of 110.16 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexane-1-carbaldehyde is sourced from PubChem (CID 534324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).