(1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde

C14H20O — CID 102355175

IUPAC(1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde
SMILESC[C@H]1CC[C@@H]2[C@@H](C=O)[C@@]3(C)C=C[C@]21CC3
InChIInChI=1S/C14H20O/c1-10-3-4-11-12(9-15)13(2)5-7-14(10,11)8-6-13/h5,7,9-12H,3-4,6,8H2,1-2H3/t10-,11+,12+,13-,14+/m0/s1
InChIKeyWFOGAKPGWBRYHS-MQLXINIDSA-N
MW204.31 g/mol
LogP3.20
Rot. Bonds1

About (1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde

(1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde (PubChem CID 102355175) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde.

Molecular Properties

Compound Name(1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde
PubChem CID102355175
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde
SMILESC[C@H]1CC[C@@H]2[C@@H](C=O)[C@@]3(C)C=C[C@]21CC3
InChIInChI=1S/C14H20O/c1-10-3-4-11-12(9-15)13(2)5-7-14(10,11)8-6-13/h5,7,9-12H,3-4,6,8H2,1-2H3/t10-,11+,12+,13-,14+/m0/s1
InChIKeyWFOGAKPGWBRYHS-MQLXINIDSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,6-tetramethylcyclohexane-1-carbaldehyde
CID 18791057
1,4,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 123899625
cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde
CID 131195965
trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
CID 131160822
1,2-dimethylcycloundecane-1-carbaldehyde
CID 138734446
2,2,3,3-tetramethylcyclopentane-1-carbaldehyde
CID 89229755
(3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 154525596
(4R)-3,3,4-trimethyl-2-oxocyclohexane-1-carbaldehyde
CID 90686947
1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid
CID 64513811
(1S,2S,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carbaldehyde
CID 14106834
(1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde
CID 100930208
2,3,3-trimethylcyclopentane-1-carbaldehyde
CID 91750029

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde?
The IUPAC name of (1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde (CID 102355175) is (1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde.
What is the SMILES notation for (1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde?
The canonical SMILES for (1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde is C[C@H]1CC[C@@H]2[C@@H](C=O)[C@@]3(C)C=C[C@]21CC3.
What is the InChIKey of (1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde?
The InChIKey is WFOGAKPGWBRYHS-MQLXINIDSA-N. The full InChI is InChI=1S/C14H20O/c1-10-3-4-11-12(9-15)13(2)5-7-14(10,11)8-6-13/h5,7,9-12H,3-4,6,8H2,1-2H3/t10-,11+,12+,13-,14+/m0/s1.
What are the key properties of (1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde?
(1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde has a molecular weight of 204.31 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde is sourced from PubChem (CID 102355175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).