(1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde

C15H20O2 — CID 14239548

IUPAC(1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde
SMILESC[C@@H]1CC[C@]23CCC(=O)[C@]12C(C=O)=CC3(C)C
InChIInChI=1S/C15H20O2/c1-10-4-6-14-7-5-12(17)15(10,14)11(9-16)8-13(14,2)3/h8-10H,4-7H2,1-3H3/t10-,14-,15-/m1/s1
InChIKeyOGWNXUYATNGHJL-VCTAVGKDSA-N
MW232.32 g/mol
LogP2.92
Rot. Bonds1

About (1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde

(1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde (PubChem CID 14239548) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde.

Molecular Properties

Compound Name(1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde
PubChem CID14239548
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde
SMILESC[C@@H]1CC[C@]23CCC(=O)[C@]12C(C=O)=CC3(C)C
InChIInChI=1S/C15H20O2/c1-10-4-6-14-7-5-12(17)15(10,14)11(9-16)8-13(14,2)3/h8-10H,4-7H2,1-3H3/t10-,14-,15-/m1/s1
InChIKeyOGWNXUYATNGHJL-VCTAVGKDSA-N
XLogP2.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,5S,8R,9R)-4,4,8-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde
CID 38349587
(1S,5S)-4,4,8-trimethyltricyclo[3.3.3.01,5]undecan-2-one
CID 11805885
(4aS,8aS)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
CID 11041651
(1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol
CID 20832557
1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane;1,1,2-trimethylcyclopropane
CID 158329208
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
ethane;2,2,3,4,4-pentamethylcyclohexan-1-one
CID 144627113
4-[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-oxo-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-2-hydroxy-2-methylbutanal
CID 10827667
2,3-dimethyl-2-methylsulfanylcyclopentan-1-one
CID 12861275
8-methylspiro[3.4]octan-3-one
CID 557011
1-ethoxybicyclo[3.2.2]nonan-2-one
CID 10773781
(4aR,5R,8S,8aR)-4a-hydroxy-5-methyl-8-propan-2-yl-4,5,6,7,8,8a-hexahydro-3H-naphthalene-2-carbaldehyde
CID 11390729

Frequently Asked Questions

What is the IUPAC name of (1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde?
The IUPAC name of (1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde (CID 14239548) is (1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde.
What is the SMILES notation for (1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde?
The canonical SMILES for (1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde is C[C@@H]1CC[C@]23CCC(=O)[C@]12C(C=O)=CC3(C)C.
What is the InChIKey of (1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde?
The InChIKey is OGWNXUYATNGHJL-VCTAVGKDSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-4-6-14-7-5-12(17)15(10,14)11(9-16)8-13(14,2)3/h8-10H,4-7H2,1-3H3/t10-,14-,15-/m1/s1.
What are the key properties of (1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde?
(1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde has a molecular weight of 232.32 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,8R)-4,4,8-trimethyl-9-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde is sourced from PubChem (CID 14239548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).