methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate

C16H32O3Si — CID 139263494

IUPACmethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate
SMILESCCCC(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O3Si/c1-9-10-14(15(17)18-6)12-11-13(2)19-20(7,8)16(3,4)5/h11-14H,9-10H2,1-8H3/b12-11+
InChIKeyVCOWZFHWZUDOCG-VAWYXSNFSA-N
MW300.52 g/mol
LogP4.54
Rot. Bonds7

About methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate (PubChem CID 139263494) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate
PubChem CID139263494
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate
SMILESCCCC(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C16H32O3Si/c1-9-10-14(15(17)18-6)12-11-13(2)19-20(7,8)16(3,4)5/h11-14H,9-10H2,1-8H3/b12-11+
InChIKeyVCOWZFHWZUDOCG-VAWYXSNFSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate 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

ethyl (E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 131668139
ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate
CID 154722300
(E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoic acid
CID 11045712
methyl (E,2R,5R)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
CID 15720960
methyl (E,2S,5R)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
CID 15720961
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate
CID 15921984
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-propylhex-3-enoate
CID 15921986
methyl (E)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 15921989
[(2R,3S,4E,6R,7S,8Z)-3,5,7-trimethyl-2-triethylsilyloxydodeca-4,8-dien-10-yn-6-yl] oct-6-ynoate
CID 49836105
(9Z,11S,12R)-11-methyl-12-[(E,4S,5R)-4-methyl-5-triethylsilyloxyhex-2-en-2-yl]-1-oxacyclododec-9-en-7-yn-2-one
CID 49836212
[(2S,4Z,6R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-8-oxo-2,3,6,7-tetrahydrooxocin-6-yl] acetate
CID 101340982
ethyl (E,2R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 125295114

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate (CID 139263494) is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate is CCCC(/C=C/C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate?
The InChIKey is VCOWZFHWZUDOCG-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-9-10-14(15(17)18-6)12-11-13(2)19-20(7,8)16(3,4)5/h11-14H,9-10H2,1-8H3/b12-11+.
What are the key properties of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate?
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate has a molecular weight of 300.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate is sourced from PubChem (CID 139263494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).