1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one

C18H34O2Si — CID 100948933

IUPAC1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one
SMILESCC(=O)CC1C(CO[Si](C)(C)C(C)(C)C)=CCCC1(C)C
InChIInChI=1S/C18H34O2Si/c1-14(19)12-16-15(10-9-11-18(16,5)6)13-20-21(7,8)17(2,3)4/h10,16H,9,11-13H2,1-8H3
InChIKeyGUHPQFPJWBOWRN-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.35
Rot. Bonds5

About 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one

1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one (PubChem CID 100948933) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one
PubChem CID100948933
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one
SMILESCC(=O)CC1C(CO[Si](C)(C)C(C)(C)C)=CCCC1(C)C
InChIInChI=1S/C18H34O2Si/c1-14(19)12-16-15(10-9-11-18(16,5)6)13-20-21(7,8)17(2,3)4/h10,16H,9,11-13H2,1-8H3
InChIKeyGUHPQFPJWBOWRN-UHFFFAOYSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.35
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'}

Analyze 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one with MolForge

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Related Compounds

(1S,5R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-4-propan-2-ylspiro[4.5]deca-3,8-dien-10-one
CID 127041220
(2S,3R,6S)-2-[(1R,2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienyl]-6-methyl-3-propan-2-ylcyclohexan-1-one
CID 102160305
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one
CID 11313407
(12R,13R,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1(14)-en-3-one
CID 11372788
cis-(2R,4R)-3,3-dimethyl-4-(3-methylbut-2-enyl)-2-[(1R)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]cyclohexan-1-one
CID 11683250
(1R,3E,7E,11R)-4,8-dimethyl-13-tri(propan-2-yl)silyloxybicyclo[9.4.0]pentadeca-3,7,12-triene-1-carbaldehyde
CID 11697685
3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one
CID 15071506
methyl 2-[(1R,4S)-2-butyl-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 101050724
(6R)-3-[tert-butyl(dimethyl)silyl]oxy-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-9-one
CID 101792046
(5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohex-2-en-1-one
CID 134865422
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethyl-4-propan-2-yl-4,4a,5,8-tetrahydro-3H-naphthalen-2-one
CID 134865795
4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
CID 134870496

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one?
The IUPAC name of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one (CID 100948933) is 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one.
What is the SMILES notation for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one?
The canonical SMILES for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one is CC(=O)CC1C(CO[Si](C)(C)C(C)(C)C)=CCCC1(C)C.
What is the InChIKey of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one?
The InChIKey is GUHPQFPJWBOWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-14(19)12-16-15(10-9-11-18(16,5)6)13-20-21(7,8)17(2,3)4/h10,16H,9,11-13H2,1-8H3.
What are the key properties of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one?
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one has a molecular weight of 310.55 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,6-dimethylcyclohex-2-en-1-yl]propan-2-one is sourced from PubChem (CID 100948933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).