methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate

C12H24O3Si — CID 21348812

IUPACmethyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
SMILESC/C=C/C(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H24O3Si/c1-8-9-10(11(13)14-5)15-16(6,7)12(2,3)4/h8-10H,1-7H3/b9-8+
InChIKeyFHOPYOBLMBNDQW-CMDGGOBGSA-N
MW244.41 g/mol
LogP3.13
Rot. Bonds4

About methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate

methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate (PubChem CID 21348812) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate.

Molecular Properties

Compound Namemethyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
PubChem CID21348812
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namemethyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
SMILESC/C=C/C(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H24O3Si/c1-8-9-10(11(13)14-5)15-16(6,7)12(2,3)4/h8-10H,1-7H3/b9-8+
InChIKeyFHOPYOBLMBNDQW-CMDGGOBGSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.13
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'}

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Related Compounds

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 10966769
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701602
methyl (E,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701603
methyl (E,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701604
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate
CID 15921993
methyl (Z,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 139263596
methyl (Z,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 139263597
2-Trimethylsiloxygeranyl acetate
CID 12624050
(3,7-Dimethyl-2-trimethylsilyloxyocta-3,6-dienyl) acetate
CID 155908216
(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoic acid
CID 22456912
[(Z,2S)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-yl] propanoate
CID 58419839
Methyl 2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 73782471

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate?
The IUPAC name of methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate (CID 21348812) is methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate.
What is the SMILES notation for methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate?
The canonical SMILES for methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate is C/C=C/C(O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate?
The InChIKey is FHOPYOBLMBNDQW-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-8-9-10(11(13)14-5)15-16(6,7)12(2,3)4/h8-10H,1-7H3/b9-8+.
What are the key properties of methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate?
methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enoate is sourced from PubChem (CID 21348812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).