trimethylsilyl 2-propylpent-4-enoate

C11H22O2Si — CID 526133

IUPACtrimethylsilyl 2-propylpent-4-enoate
SMILESC=CCC(CCC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-8-10(9-7-2)11(12)13-14(3,4)5/h6,10H,1,7-9H2,2-5H3
InChIKeyJJBFQFZTRTZOCO-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.36
Rot. Bonds6

About trimethylsilyl 2-propylpent-4-enoate

trimethylsilyl 2-propylpent-4-enoate (PubChem CID 526133) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is trimethylsilyl 2-propylpent-4-enoate.

Molecular Properties

Compound Nametrimethylsilyl 2-propylpent-4-enoate
PubChem CID526133
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nametrimethylsilyl 2-propylpent-4-enoate
SMILESC=CCC(CCC)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-8-10(9-7-2)11(12)13-14(3,4)5/h6,10H,1,7-9H2,2-5H3
InChIKeyJJBFQFZTRTZOCO-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-Propyl-4-pentenoic Acid Methyl Ester
CID 21593437
Trimethylsilyl cyclohex-3-ene-1-carboxylate
CID 67666049
Sodium 2-propyl-4-pentenoate
CID 24840951
(S)-(-)-Citronellic acid, TMS derivative
CID 91709808
2-Methyl-4-pentenoic acid, trimethylsilyl ester
CID 552477
Methyl 2-ethyl-4-methylidene-2-trimethylsilylhex-5-enoate
CID 14569486
trimethylsilyl (4S)-4-methylhex-5-enoate
CID 102423035
Methyl 2-prop-2-enylhex-5-enoate
CID 13837666
Chloro 2-propylpent-4-enoate
CID 17997739
Methyl 2-ethylhex-5-enoate
CID 22081143
Trimethylsilyl 3-methylpent-4-enoate;yttrium
CID 57552770
CID 59971393
CID 59971393

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-propylpent-4-enoate?
The IUPAC name of trimethylsilyl 2-propylpent-4-enoate (CID 526133) is trimethylsilyl 2-propylpent-4-enoate.
What is the SMILES notation for trimethylsilyl 2-propylpent-4-enoate?
The canonical SMILES for trimethylsilyl 2-propylpent-4-enoate is C=CCC(CCC)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-propylpent-4-enoate?
The InChIKey is JJBFQFZTRTZOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-6-8-10(9-7-2)11(12)13-14(3,4)5/h6,10H,1,7-9H2,2-5H3.
What are the key properties of trimethylsilyl 2-propylpent-4-enoate?
trimethylsilyl 2-propylpent-4-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-propylpent-4-enoate is sourced from PubChem (CID 526133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).