2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde

C10H12O — CID 91402961

IUPAC2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde
SMILESO=CC12C3C1C32C1CCCC1
InChIInChI=1S/C10H12O/c11-5-9-7-8(9)10(7,9)6-3-1-2-4-6/h5-8H,1-4H2
InChIKeyIWMWPHIDRHNNRT-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.62
Rot. Bonds2

About 2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde

2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde (PubChem CID 91402961) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde.

Molecular Properties

Compound Name2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde
PubChem CID91402961
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde
SMILESO=CC12C3C1C32C1CCCC1
InChIInChI=1S/C10H12O/c11-5-9-7-8(9)10(7,9)6-3-1-2-4-6/h5-8H,1-4H2
InChIKeyIWMWPHIDRHNNRT-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde?
The IUPAC name of 2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde (CID 91402961) is 2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde.
What is the SMILES notation for 2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde?
The canonical SMILES for 2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde is O=CC12C3C1C32C1CCCC1.
What is the InChIKey of 2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde?
The InChIKey is IWMWPHIDRHNNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c11-5-9-7-8(9)10(7,9)6-3-1-2-4-6/h5-8H,1-4H2.
What are the key properties of 2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde?
2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde has a molecular weight of 148.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyltricyclo[1.1.0.02,4]butane-1-carbaldehyde is sourced from PubChem (CID 91402961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).