silyl 2-ethylidenepentanoate

C7H14O2Si — CID 174944485

IUPACsilyl 2-ethylidenepentanoate
SMILESCC=C(CCC)C(=O)O[SiH3]
InChIInChI=1S/C7H14O2Si/c1-3-5-6(4-2)7(8)9-10/h4H,3,5H2,1-2,10H3
InChIKeyJAFSBUJPVHWWIB-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.56
Rot. Bonds3

About silyl 2-ethylidenepentanoate

silyl 2-ethylidenepentanoate (PubChem CID 174944485) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is silyl 2-ethylidenepentanoate.

Molecular Properties

Compound Namesilyl 2-ethylidenepentanoate
PubChem CID174944485
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Namesilyl 2-ethylidenepentanoate
SMILESCC=C(CCC)C(=O)O[SiH3]
InChIInChI=1S/C7H14O2Si/c1-3-5-6(4-2)7(8)9-10/h4H,3,5H2,1-2,10H3
InChIKeyJAFSBUJPVHWWIB-UHFFFAOYSA-N
XLogP0.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azane;methyl 2-ethylidenepentanoate
CID 175242663
heptyl 2-ethylidenepentanoate
CID 175046581
2-methylbutan-2-yl (2E)-2-ethylidenepentanoate
CID 89349652
2-propylhexa-2,4-dieneperoxoic acid
CID 173280763
magnesium bis(2-ethylidenepentanoate)
CID 156698834
prop-1-enyl 2-ethylidenehexanoate
CID 141345152
octadecyl 2-ethylideneicosanoate
CID 174753193
2-propylhex-2-eneperoxoic acid
CID 175435177
dimethyl 3,4-dipropylhexa-2,4-dienedioate
CID 606910
trimethylsilyl (2E)-2-propylpenta-2,4-dienoate
CID 5352354
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
(2E)-2-(hydroxymethylidene)pentanoic acid
CID 88655621

Frequently Asked Questions

What is the IUPAC name of silyl 2-ethylidenepentanoate?
The IUPAC name of silyl 2-ethylidenepentanoate (CID 174944485) is silyl 2-ethylidenepentanoate.
What is the SMILES notation for silyl 2-ethylidenepentanoate?
The canonical SMILES for silyl 2-ethylidenepentanoate is CC=C(CCC)C(=O)O[SiH3].
What is the InChIKey of silyl 2-ethylidenepentanoate?
The InChIKey is JAFSBUJPVHWWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-3-5-6(4-2)7(8)9-10/h4H,3,5H2,1-2,10H3.
What are the key properties of silyl 2-ethylidenepentanoate?
silyl 2-ethylidenepentanoate has a molecular weight of 158.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2-ethylidenepentanoate is sourced from PubChem (CID 174944485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).