1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate

C28H52O3Si — CID 54325031

IUPAC1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate
SMILESCCCCCCCCC(C=CC=CC1(CO[Si](C)(C)C(C)(C)C)CCCCC1)OC(C)=O
InChIInChI=1S/C28H52O3Si/c1-8-9-10-11-12-14-19-26(31-25(2)29)20-15-18-23-28(21-16-13-17-22-28)24-30-32(6,7)27(3,4)5/h15,18,20,23,26H,8-14,16-17,19,21-22,24H2,1-7H3
InChIKeySUHRDBOYXDOEAU-UHFFFAOYSA-N
MW464.81 g/mol
LogP8.75
Rot. Bonds14

About 1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate

1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate (PubChem CID 54325031) has the molecular formula C28H52O3Si and a molecular weight of 464.81 g/mol. Its IUPAC name is 1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate.

Molecular Properties

Compound Name1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate
PubChem CID54325031
Molecular FormulaC28H52O3Si
Molecular Weight464.81 g/mol
Exact Mass464.37
IUPAC Name1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate
SMILESCCCCCCCCC(C=CC=CC1(CO[Si](C)(C)C(C)(C)C)CCCCC1)OC(C)=O
InChIInChI=1S/C28H52O3Si/c1-8-9-10-11-12-14-19-26(31-25(2)29)20-15-18-23-28(21-16-13-17-22-28)24-30-32(6,7)27(3,4)5/h15,18,20,23,26H,8-14,16-17,19,21-22,24H2,1-7H3
InChIKeySUHRDBOYXDOEAU-UHFFFAOYSA-N
XLogP8.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.81
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate 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

(R*)-5-((R*)-1-(tert-Butyldimethylsilyloxy)-2,2-dimethylcyclohexyl) furan-2(5H)-one
CID 46894952
methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate
CID 134943935
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate
CID 135005485
ethyl (2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-methylidenecyclohexylidene]acetate
CID 135068712
ethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexylbut-2-enoate
CID 135077408
butyl (2E,4E)-7-cyclohexyl-5-methyl-7-tri(propan-2-yl)silyloxyhepta-2,4-dienoate
CID 138965235
7-[1-(([tert-Butyl(dimethyl)silyl]oxy)methyl)vinyl]-1,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenyl acetate
CID 554352
Bicyclo[4.4.0]dec-1-ene, 3-acetoxy-4-(t-butyldimethylsilyloxy)-2,6-dimethyl-9-isopropenyl-
CID 554426
ethyl (2E,4E,6E,8E)-9-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoate
CID 11576192
[(1E,3E)-1-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]trideca-1,3-dien-5-yl] acetate
CID 14851387
[(1E,3E)-1-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]trideca-1,3-dien-5-yl] acetate
CID 14851388
[(2E,4E,6E)-8-acetyloxy-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienyl] acetate
CID 15108272

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate?
The IUPAC name of 1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate (CID 54325031) is 1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate.
What is the SMILES notation for 1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate?
The canonical SMILES for 1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate is CCCCCCCCC(C=CC=CC1(CO[Si](C)(C)C(C)(C)C)CCCCC1)OC(C)=O.
What is the InChIKey of 1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate?
The InChIKey is SUHRDBOYXDOEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O3Si/c1-8-9-10-11-12-14-19-26(31-25(2)29)20-15-18-23-28(21-16-13-17-22-28)24-30-32(6,7)27(3,4)5/h15,18,20,23,26H,8-14,16-17,19,21-22,24H2,1-7H3.
What are the key properties of 1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate?
1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate has a molecular weight of 464.81 g/mol, XLogP of 8.75, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate is sourced from PubChem (CID 54325031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).