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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Related Compounds

Tricycloekasantal
CID 74020965
4,7-Methano-1H-indene-5-acetaldehyde, octahydro-
CID 54159794
4,7-Methano-1H-indene-5-carboxaldehyde, octahydro-6-methyl-
CID 89522318
Decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-carboxaldehyde
CID 565584
Spiro[bicyclo[2.2.1]heptane-2,1'-cyclopentan]-3-one, 4,7,7-trimethyl-
CID 14818318
4,7-Methano-1H-indenecarboxaldehyde, octahydro-
CID 161676
Norecasantalal
CID 85861297
2,3-Dimethyltricyclo(2.2.1.02,6)heptane-3-carboxaldehyde
CID 85861298
Bicyclo(2.2.1)heptane-2-propanal, alpha-methyl-
CID 89375
Cyclocopacamphan-12-al
CID 6428370
(2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal
CID 163105278
(2R)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal
CID 163105279

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).