(8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde

C15H20O2 — CID 10443952

IUPAC(8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde
SMILESC[C@H]1C=C(C=O)C(C=O)=CC2CC(C)(C)CC21
InChIInChI=1S/C15H20O2/c1-10-4-12(8-16)13(9-17)5-11-6-15(2,3)7-14(10)11/h4-5,8-11,14H,6-7H2,1-3H3/t10-,11?,14?/m0/s1
InChIKeyGUAUUIHVMRMGCT-IFQILLTASA-N
MW232.32 g/mol
LogP2.94
Rot. Bonds2

About (8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde

(8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde (PubChem CID 10443952) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde.

Molecular Properties

Compound Name(8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde
PubChem CID10443952
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde
SMILESC[C@H]1C=C(C=O)C(C=O)=CC2CC(C)(C)CC21
InChIInChI=1S/C15H20O2/c1-10-4-12(8-16)13(9-17)5-11-6-15(2,3)7-14(10)11/h4-5,8-11,14H,6-7H2,1-3H3/t10-,11?,14?/m0/s1
InChIKeyGUAUUIHVMRMGCT-IFQILLTASA-N
XLogP2.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.94
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

2-[(3aR,7aR)-6-formyl-2,2,4-trimethyl-1,3,3a,7a-tetrahydroinden-5-yl]-2-oxoacetic acid
CID 162941270
(3aR,4S,5S,8R,8aR)-4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-6-carbaldehyde
CID 14412874
2,2,8-trimethyl-3,3a,6,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde
CID 53461824
4,4,11b-trimethyl-2,3,4a,5,6,6a,11,11a-octahydro-1H-cyclohepta[a]naphthalene-8,9-dicarbaldehyde
CID 162930383
3,5,5-trimethylcyclohexene-1-carbaldehyde
CID 11084067
(5R,5aR,8aR,9S,9aS)-9-hydroxy-5,7,7-trimethyl-1,5,5a,6,8,8a,9,9a-octahydroazuleno[5,6-c]furan-3-one
CID 14109864
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
bromobenzene;formic acid;1,1,2-trimethylcyclopropane
CID 144977863
azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone
CID 174915848
4,4,10-trimethyltricyclo[5.2.1.02,6]decane
CID 142502151
acetic acid;(2Z)-2-fluoro-4,8,11,11-tetramethylbicyclo[7.2.0]undec-2-ene
CID 90332008
(2R,5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbaldehyde
CID 56928137

Frequently Asked Questions

What is the IUPAC name of (8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde?
The IUPAC name of (8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde (CID 10443952) is (8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde.
What is the SMILES notation for (8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde?
The canonical SMILES for (8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde is C[C@H]1C=C(C=O)C(C=O)=CC2CC(C)(C)CC21.
What is the InChIKey of (8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde?
The InChIKey is GUAUUIHVMRMGCT-IFQILLTASA-N. The full InChI is InChI=1S/C15H20O2/c1-10-4-12(8-16)13(9-17)5-11-6-15(2,3)7-14(10)11/h4-5,8-11,14H,6-7H2,1-3H3/t10-,11?,14?/m0/s1.
What are the key properties of (8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde?
(8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde has a molecular weight of 232.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde is sourced from PubChem (CID 10443952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).