(E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal

C16H30O2Si — CID 173318584

IUPAC(E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal
SMILESC/C(C=O)=C\C1(O[SiH](C)C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H30O2Si/c1-13(12-17)11-16(18-19(5)6)9-7-14(8-10-16)15(2,3)4/h11-12,14,19H,7-10H2,1-6H3/b13-11+
InChIKeyIVODKBFISIHJHM-ACCUITESSA-N
MW282.50 g/mol
LogP4.11
Rot. Bonds4

About (E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal

(E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal (PubChem CID 173318584) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal.

Molecular Properties

Compound Name(E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal
PubChem CID173318584
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal
SMILESC/C(C=O)=C\C1(O[SiH](C)C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H30O2Si/c1-13(12-17)11-16(18-19(5)6)9-7-14(8-10-16)15(2,3)4/h11-12,14,19H,7-10H2,1-6H3/b13-11+
InChIKeyIVODKBFISIHJHM-ACCUITESSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.11
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-1,1-dihydroperoxycyclohexane
CID 16750617
3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid
CID 173004431
4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde
CID 13249965
4-tert-butyl-1-cyclopropylcyclohexane-1-carbaldehyde
CID 130647229
(1-aminocyclobutyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 81169402
4-tert-butyl-1-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxylic acid
CID 79425798
7-tert-butylspiro[3.5]nonane
CID 123908402
bis(4-tert-butyl-1-methylcyclohexyl) carbonate
CID 135314493
methyl 4-tert-butyl-1-(hydroxymethyl)cyclohexane-1-carboxylate
CID 118380454
4-tert-butyl-1-(methoxymethyl)cyclohexane-1-carboxylic acid
CID 103975916
(4-tert-butyl-1-ethylcyclohexyl) hydrogen carbonate
CID 135314707
(E)-4-[2-(4-tert-butylcyclohexyl)propan-2-yloxy]-4-oxobut-2-enoic acid
CID 172565501

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal?
The IUPAC name of (E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal (CID 173318584) is (E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal.
What is the SMILES notation for (E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal?
The canonical SMILES for (E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal is C/C(C=O)=C\C1(O[SiH](C)C)CCC(C(C)(C)C)CC1.
What is the InChIKey of (E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal?
The InChIKey is IVODKBFISIHJHM-ACCUITESSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-13(12-17)11-16(18-19(5)6)9-7-14(8-10-16)15(2,3)4/h11-12,14,19H,7-10H2,1-6H3/b13-11+.
What are the key properties of (E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal?
(E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal has a molecular weight of 282.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal is sourced from PubChem (CID 173318584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).