(1-methylsilinan-1-yl) 2-methylpent-4-enoate

C12H22O2Si — CID 602971

IUPAC(1-methylsilinan-1-yl) 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)O[Si]1(C)CCCCC1
InChIInChI=1S/C12H22O2Si/c1-4-8-11(2)12(13)14-15(3)9-6-5-7-10-15/h4,11H,1,5-10H2,2-3H3
InChIKeyFJSHDUQXCUDUJD-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.50
Rot. Bonds4

About (1-methylsilinan-1-yl) 2-methylpent-4-enoate

(1-methylsilinan-1-yl) 2-methylpent-4-enoate (PubChem CID 602971) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (1-methylsilinan-1-yl) 2-methylpent-4-enoate.

Molecular Properties

Compound Name(1-methylsilinan-1-yl) 2-methylpent-4-enoate
PubChem CID602971
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(1-methylsilinan-1-yl) 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)O[Si]1(C)CCCCC1
InChIInChI=1S/C12H22O2Si/c1-4-8-11(2)12(13)14-15(3)9-6-5-7-10-15/h4,11H,1,5-10H2,2-3H3
InChIKeyFJSHDUQXCUDUJD-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.50
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

Tri(propan-2-yl)silyl pent-4-enoate
CID 10735566
[Tert-butyl(dimethyl)silyl] pent-4-enoate
CID 13678910
methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate
CID 44521629
methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate
CID 134893722
2-Methyl-4-pentenoic acid, trimethylsilyl ester
CID 552477
2-Methylpent-4-enoic acid,methyl(tetramethylene)silyl ester
CID 567524
trimethylsilyl (4S)-4-methylhex-5-enoate
CID 102423035
Triethylsilyl 2,2-dimethylpent-4-enoate
CID 11425035
2-(Trimethylsilylmethyl)pent-4-enoic acid
CID 17978235
Trimethylsilyl 3-methylpent-4-enoate;yttrium
CID 57552770
trimethylsilyl (E)-2-ethylhept-4-enoate
CID 176585229
methyl (E,2S,3S)-2,3-dimethyl-5-trimethylsilylpent-4-enoate
CID 10560604

Frequently Asked Questions

What is the IUPAC name of (1-methylsilinan-1-yl) 2-methylpent-4-enoate?
The IUPAC name of (1-methylsilinan-1-yl) 2-methylpent-4-enoate (CID 602971) is (1-methylsilinan-1-yl) 2-methylpent-4-enoate.
What is the SMILES notation for (1-methylsilinan-1-yl) 2-methylpent-4-enoate?
The canonical SMILES for (1-methylsilinan-1-yl) 2-methylpent-4-enoate is C=CCC(C)C(=O)O[Si]1(C)CCCCC1.
What is the InChIKey of (1-methylsilinan-1-yl) 2-methylpent-4-enoate?
The InChIKey is FJSHDUQXCUDUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-4-8-11(2)12(13)14-15(3)9-6-5-7-10-15/h4,11H,1,5-10H2,2-3H3.
What are the key properties of (1-methylsilinan-1-yl) 2-methylpent-4-enoate?
(1-methylsilinan-1-yl) 2-methylpent-4-enoate has a molecular weight of 226.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsilinan-1-yl) 2-methylpent-4-enoate is sourced from PubChem (CID 602971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).