8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde

C13H20O — CID 54499262

IUPAC8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde
SMILESCCC1(C=O)CC2CC1C1CCCC21
InChIInChI=1S/C13H20O/c1-2-13(8-14)7-9-6-12(13)11-5-3-4-10(9)11/h8-12H,2-7H2,1H3
InChIKeyYBHDOFISPLMFBM-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.04
Rot. Bonds2

About 8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde

8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde (PubChem CID 54499262) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde.

Molecular Properties

Compound Name8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde
PubChem CID54499262
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde
SMILESCCC1(C=O)CC2CC1C1CCCC21
InChIInChI=1S/C13H20O/c1-2-13(8-14)7-9-6-12(13)11-5-3-4-10(9)11/h8-12H,2-7H2,1H3
InChIKeyYBHDOFISPLMFBM-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.04
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 8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde?
The IUPAC name of 8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde (CID 54499262) is 8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde.
What is the SMILES notation for 8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde?
The canonical SMILES for 8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde is CCC1(C=O)CC2CC1C1CCCC21.
What is the InChIKey of 8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde?
The InChIKey is YBHDOFISPLMFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-13(8-14)7-9-6-12(13)11-5-3-4-10(9)11/h8-12H,2-7H2,1H3.
What are the key properties of 8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde?
8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde has a molecular weight of 192.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde is sourced from PubChem (CID 54499262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).