methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate

C11H22O2Si — CID 10560604

IUPACmethyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate
SMILESCOC(=O)[C@@H](C)[C@H](C)/C=C/[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-9(7-8-14(4,5)6)10(2)11(12)13-3/h7-10H,1-6H3/b8-7+/t9-,10+/m1/s1
InChIKeyRUVBEPNGUWAUKJ-PSFRMBJNSA-N
MW214.38 g/mol
LogP2.87
Rot. Bonds4

About methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate

methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate (PubChem CID 10560604) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate
PubChem CID10560604
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Namemethyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate
SMILESCOC(=O)[C@@H](C)[C@H](C)/C=C/[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-9(7-8-14(4,5)6)10(2)11(12)13-3/h7-10H,1-6H3/b8-7+/t9-,10+/m1/s1
InChIKeyRUVBEPNGUWAUKJ-PSFRMBJNSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate?
The IUPAC name of methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate (CID 10560604) is methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate.
What is the SMILES notation for methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate?
The canonical SMILES for methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate is COC(=O)[C@@H](C)[C@H](C)/C=C/[Si](C)(C)C.
What is the InChIKey of methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate?
The InChIKey is RUVBEPNGUWAUKJ-PSFRMBJNSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-9(7-8-14(4,5)6)10(2)11(12)13-3/h7-10H,1-6H3/b8-7+/t9-,10+/m1/s1.
What are the key properties of methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate?
methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate has a molecular weight of 214.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate is sourced from PubChem (CID 10560604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).