3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one

C23H44O2Si — CID 54278448

IUPAC3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one
SMILESCCCCCCCCC(C=CC1CCCC(=O)C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O2Si/c1-7-8-9-10-11-12-16-22(25-26(5,6)23(2,3)4)18-17-20-14-13-15-21(24)19-20/h17-18,20,22H,7-16,19H2,1-6H3
InChIKeyRPBUEVQQYFYCCI-UHFFFAOYSA-N
MW380.69 g/mol
LogP7.44
Rot. Bonds11

About 3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one

3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one (PubChem CID 54278448) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is 3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one
PubChem CID54278448
Molecular FormulaC23H44O2Si
Molecular Weight380.69 g/mol
Exact Mass380.31
IUPAC Name3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one
SMILESCCCCCCCCC(C=CC1CCCC(=O)C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O2Si/c1-7-8-9-10-11-12-16-22(25-26(5,6)23(2,3)4)18-17-20-14-13-15-21(24)19-20/h17-18,20,22H,7-16,19H2,1-6H3
InChIKeyRPBUEVQQYFYCCI-UHFFFAOYSA-N
XLogP7.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one 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

(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
(12R,13R,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1(14)-en-3-one
CID 11372788
3-[(E)-2-methyl-6-tri(propan-2-yl)silyloxyhex-1-enyl]-4-propan-2-ylcyclohexan-1-one
CID 15071506
3-[(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-enyl]cyclohexan-1-one
CID 101625783
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
(2S,3R,6S)-2-[(1R,2E)-1-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,7-dienyl]-6-methyl-3-propan-2-ylcyclohexan-1-one
CID 134834299
(Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one
CID 134854811
(5R,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-one
CID 134865994
4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
CID 134870496
cis-(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 134939454
(5S)-2-methyl-5-prop-1-en-2-yl-3-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-one
CID 134945473
(4S,7R)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999408

Frequently Asked Questions

What is the IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one?
The IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one (CID 54278448) is 3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one.
What is the SMILES notation for 3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one?
The canonical SMILES for 3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one is CCCCCCCCC(C=CC1CCCC(=O)C1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one?
The InChIKey is RPBUEVQQYFYCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-7-8-9-10-11-12-16-22(25-26(5,6)23(2,3)4)18-17-20-14-13-15-21(24)19-20/h17-18,20,22H,7-16,19H2,1-6H3.
What are the key properties of 3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one?
3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one has a molecular weight of 380.69 g/mol, XLogP of 7.44, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one is sourced from PubChem (CID 54278448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).