dispiro[2.0.24.13]heptane-7-carbaldehyde

C8H10O — CID 11073405

IUPACdispiro[2.0.24.13]heptane-7-carbaldehyde
SMILESO=CC1C2(CC2)C12CC2
InChIInChI=1S/C8H10O/c9-5-6-7(1-2-7)8(6)3-4-8/h5-6H,1-4H2
InChIKeyUEKVKRRJOCIUOX-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.38
Rot. Bonds1

About dispiro[2.0.24.13]heptane-7-carbaldehyde

dispiro[2.0.24.13]heptane-7-carbaldehyde (PubChem CID 11073405) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is dispiro[2.0.24.13]heptane-7-carbaldehyde.

Molecular Properties

Compound Namedispiro[2.0.24.13]heptane-7-carbaldehyde
PubChem CID11073405
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Namedispiro[2.0.24.13]heptane-7-carbaldehyde
SMILESO=CC1C2(CC2)C12CC2
InChIInChI=1S/C8H10O/c9-5-6-7(1-2-7)8(6)3-4-8/h5-6H,1-4H2
InChIKeyUEKVKRRJOCIUOX-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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

Spiro[2.2]pentane-1-carbaldehyde
CID 20289348
Dicyclopropylacetaldehyde
CID 90254
rac-(1R,2S)-[1,1'-bi(cyclopropane)]-2-carbaldehyde
CID 54122002
3-Cyclopropyl-3-methylbutanal
CID 86640372
2-(2,2,3,3-Tetramethylcyclopropyl)acetaldehyde
CID 14010255
2-Cyclopropyl-3-methylcyclopropane-1-carbaldehyde
CID 86031145
2-Nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde
CID 57291071
(3R)-5-fluoro-2-methylspiro[2.2]pentane-2-carbaldehyde
CID 163876171
2-Cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde
CID 91402961
(2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde
CID 134841635
1-[(2,2-Difluorocyclopropyl)methyl]cyclopropane-1-carbaldehyde
CID 165603152
2-Spiro[2.3]hexan-5-ylacetaldehyde
CID 177798459

Frequently Asked Questions

What is the IUPAC name of dispiro[2.0.24.13]heptane-7-carbaldehyde?
The IUPAC name of dispiro[2.0.24.13]heptane-7-carbaldehyde (CID 11073405) is dispiro[2.0.24.13]heptane-7-carbaldehyde.
What is the SMILES notation for dispiro[2.0.24.13]heptane-7-carbaldehyde?
The canonical SMILES for dispiro[2.0.24.13]heptane-7-carbaldehyde is O=CC1C2(CC2)C12CC2.
What is the InChIKey of dispiro[2.0.24.13]heptane-7-carbaldehyde?
The InChIKey is UEKVKRRJOCIUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c9-5-6-7(1-2-7)8(6)3-4-8/h5-6H,1-4H2.
What are the key properties of dispiro[2.0.24.13]heptane-7-carbaldehyde?
dispiro[2.0.24.13]heptane-7-carbaldehyde has a molecular weight of 122.17 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 dispiro[2.0.24.13]heptane-7-carbaldehyde is sourced from PubChem (CID 11073405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).