[tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone

C16H30O2Si — CID 553327

IUPAC[tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone
SMILESCC(C)=CCCC1(C)OC1C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-12(2)10-9-11-16(6)13(18-16)14(17)19(7,8)15(3,4)5/h10,13H,9,11H2,1-8H3
InChIKeyIYWTVCBTYSKRFM-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.51
Rot. Bonds5

About [tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone

[tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone (PubChem CID 553327) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone
PubChem CID553327
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name[tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone
SMILESCC(C)=CCCC1(C)OC1C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-12(2)10-9-11-16(6)13(18-16)14(17)19(7,8)15(3,4)5/h10,13H,9,11H2,1-8H3
InChIKeyIYWTVCBTYSKRFM-UHFFFAOYSA-N
XLogP4.51
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-3-(4-methylpent-3-en-1-yl)oxirane-2-carbaldehyde
CID 534994
2R3R-epoxyneral
CID 10931830
(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carbaldehyde
CID 12558928
Ethanone, 1-[3-methyl-3-(4-methyl-3-pentenyl)oxiranyl]-
CID 536459
(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carbaldehyde
CID 10012297
(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)oxirane-2-carbaldehyde
CID 11052050
1-[(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethanone
CID 639017
3-[(3E)-4,8-dimethyl-3,7-nonadienyl]-3-methyl-2-oxiranecarbaldehyde
CID 14107566
3-(4,8-Dimethylnona-3,7-dienyl)-3-methyloxirane-2-carbaldehyde
CID 72727439
(2R,3S)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methyloxirane-2-carbaldehyde
CID 71608220

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone?
The IUPAC name of [tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone (CID 553327) is [tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone.
What is the SMILES notation for [tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone?
The canonical SMILES for [tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone is CC(C)=CCCC1(C)OC1C(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone?
The InChIKey is IYWTVCBTYSKRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12(2)10-9-11-16(6)13(18-16)14(17)19(7,8)15(3,4)5/h10,13H,9,11H2,1-8H3.
What are the key properties of [tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone?
[tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone has a molecular weight of 282.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl]-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanone is sourced from PubChem (CID 553327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).