1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one

C17H32O2Si — CID 15039587

IUPAC1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one
SMILESC=C(C(=O)[Si](C)(C)C(C)(C)C)C(OC)C1CCCCC1
InChIInChI=1S/C17H32O2Si/c1-13(16(18)20(6,7)17(2,3)4)15(19-5)14-11-9-8-10-12-14/h14-15H,1,8-12H2,2-7H3
InChIKeyFWGNTBLEYKPIPY-UHFFFAOYSA-N
MW296.53 g/mol
LogP4.75
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one

1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one (PubChem CID 15039587) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one
PubChem CID15039587
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one
SMILESC=C(C(=O)[Si](C)(C)C(C)(C)C)C(OC)C1CCCCC1
InChIInChI=1S/C17H32O2Si/c1-13(16(18)20(6,7)17(2,3)4)15(19-5)14-11-9-8-10-12-14/h14-15H,1,8-12H2,2-7H3
InChIKeyFWGNTBLEYKPIPY-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[Cyclohexyl(hydroxy)methyl]-1-trimethylsilylprop-2-en-1-one
CID 11831556
(z)-4-Methyl-2-(tetrahydrofuran-2-yl)-1-(triisopropylsilyl) pent-1-en-3-one
CID 138985138
(z)-1-Cyclohexyl-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl)prop-2-en-1-one
CID 171037539
(z)-2-(Tetrahydrofuran-2-yl)-1-(triisopropylsilyl)tetradec-1-en-3-one
CID 171037561
methyl (6S)-3-acetyloxy-6-methyl-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate
CID 10938588
2-[Cyclohexyl(methoxy)methyl]-1-trimethylsilylprop-2-en-1-one
CID 15039584
(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-2-methylidenecyclohexyl]nonan-3-one
CID 54597591
tert-butyl (Z)-2-[cyclohexyl(hydroxy)methyl]-3-trimethylsilylprop-2-enoate
CID 101080623
cyclohexyl 2-[(2E)-2-(trimethylsilylmethylidene)cyclopentyl]prop-2-enoate
CID 101411441
methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate
CID 101476822

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one (CID 15039587) is 1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one is C=C(C(=O)[Si](C)(C)C(C)(C)C)C(OC)C1CCCCC1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one?
The InChIKey is FWGNTBLEYKPIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-13(16(18)20(6,7)17(2,3)4)15(19-5)14-11-9-8-10-12-14/h14-15H,1,8-12H2,2-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one?
1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one has a molecular weight of 296.53 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one is sourced from PubChem (CID 15039587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).