2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal

C17H32O2Si — CID 10979376

IUPAC2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal
SMILESCC1=C(CCC(C)(C=O)O[Si](C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C17H32O2Si/c1-14-9-8-11-16(2,3)15(14)10-12-17(4,13-18)19-20(5,6)7/h13H,8-12H2,1-7H3
InChIKeyRZDBYNHYAMFFGA-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.10
Rot. Bonds6

About 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal

2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal (PubChem CID 10979376) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal.

Molecular Properties

Compound Name2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal
PubChem CID10979376
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal
SMILESCC1=C(CCC(C)(C=O)O[Si](C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C17H32O2Si/c1-14-9-8-11-16(2,3)15(14)10-12-17(4,13-18)19-20(5,6)7/h13H,8-12H2,1-7H3
InChIKeyRZDBYNHYAMFFGA-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,5-dien-3-yl]oxysilane
CID 102002934
3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-4-yn-3-ol
CID 173312883
3-(2,2-dimethylpropanoyloxy)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-enoic acid
CID 67626510
N-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethanamine
CID 168884259
[(Z)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-1-enyl] acetate
CID 15895494
3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enal
CID 141476542
(2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride
CID 155858654
[(2R)-4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl] acetate
CID 71553169
15-(2,6,6-trimethylcyclohexen-1-yl)pentadecyl acetate
CID 102509392
(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol
CID 11042317
2-[2-[6-[9-(2,6,6-trimethylcyclohexen-1-yl)nonylamino]hexylamino]ethoxy]ethyl 2-oxoacetate
CID 141358512
(6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienal
CID 165111449

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal?
The IUPAC name of 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal (CID 10979376) is 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal.
What is the SMILES notation for 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal?
The canonical SMILES for 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal is CC1=C(CCC(C)(C=O)O[Si](C)(C)C)C(C)(C)CCC1.
What is the InChIKey of 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal?
The InChIKey is RZDBYNHYAMFFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-14-9-8-11-16(2,3)15(14)10-12-17(4,13-18)19-20(5,6)7/h13H,8-12H2,1-7H3.
What are the key properties of 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal?
2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal has a molecular weight of 296.53 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal is sourced from PubChem (CID 10979376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).