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

C14H22O — CID 57291071

IUPAC2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde
SMILESCCCCCCCCCC12C3C1C32C=O
InChIInChI=1S/C14H22O/c1-2-3-4-5-6-7-8-9-13-11-12(13)14(11,13)10-15/h10-12H,2-9H2,1H3
InChIKeyCOEHVNNTNIEJNL-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.57
Rot. Bonds9

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

2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde (PubChem CID 57291071) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde.

Molecular Properties

Compound Name2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde
PubChem CID57291071
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde
SMILESCCCCCCCCCC12C3C1C32C=O
InChIInChI=1S/C14H22O/c1-2-3-4-5-6-7-8-9-13-11-12(13)14(11,13)10-15/h10-12H,2-9H2,1H3
InChIKeyCOEHVNNTNIEJNL-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde?
The IUPAC name of 2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde (CID 57291071) is 2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde.
What is the SMILES notation for 2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde?
The canonical SMILES for 2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde is CCCCCCCCCC12C3C1C32C=O.
What is the InChIKey of 2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde?
The InChIKey is COEHVNNTNIEJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-9-13-11-12(13)14(11,13)10-15/h10-12H,2-9H2,1H3.
What are the key properties of 2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde?
2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde has a molecular weight of 206.33 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyltricyclo[1.1.0.02,4]butane-1-carbaldehyde is sourced from PubChem (CID 57291071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).