2-methyl-1-prop-2-enylsilylprop-2-en-1-one

C7H12OSi — CID 173010007

IUPAC2-methyl-1-prop-2-enylsilylprop-2-en-1-one
SMILESC=CC[SiH2]C(=O)C(=C)C
InChIInChI=1S/C7H12OSi/c1-4-5-9-7(8)6(2)3/h4H,1-2,5,9H2,3H3
InChIKeyJTCPBLKSTRSXES-UHFFFAOYSA-N
MW140.26 g/mol
LogP0.86
Rot. Bonds4

About 2-methyl-1-prop-2-enylsilylprop-2-en-1-one

2-methyl-1-prop-2-enylsilylprop-2-en-1-one (PubChem CID 173010007) has the molecular formula C7H12OSi and a molecular weight of 140.26 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enylsilylprop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-1-prop-2-enylsilylprop-2-en-1-one
PubChem CID173010007
Molecular FormulaC7H12OSi
Molecular Weight140.26 g/mol
Exact Mass140.07
IUPAC Name2-methyl-1-prop-2-enylsilylprop-2-en-1-one
SMILESC=CC[SiH2]C(=O)C(=C)C
InChIInChI=1S/C7H12OSi/c1-4-5-9-7(8)6(2)3/h4H,1-2,5,9H2,3H3
InChIKeyJTCPBLKSTRSXES-UHFFFAOYSA-N
XLogP0.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.26
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylbut-2-en-2-yl(prop-2-enyl)silane
CID 174550873
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
2-methylbuta-1,3-diene;pentane-2,4-dione
CID 18795140
hept-1-ene;2-methylprop-2-enoic acid
CID 158713562
acetyl-bis(prop-2-enyl)azanium
CID 173290878
2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
hexakis(but-3-en-2-one);tris(3-methylbut-3-en-2-one)
CID 157464635
but-1-ene;urea
CID 87757370
(213C)pent-4-en-2-one
CID 173180315
acetic acid;but-1-ene
CID 88520349
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
N-[2-(dimethylamino)ethyl]-2-methyl-N-prop-2-enylprop-2-enamide
CID 135128686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enylsilylprop-2-en-1-one?
The IUPAC name of 2-methyl-1-prop-2-enylsilylprop-2-en-1-one (CID 173010007) is 2-methyl-1-prop-2-enylsilylprop-2-en-1-one.
What is the SMILES notation for 2-methyl-1-prop-2-enylsilylprop-2-en-1-one?
The canonical SMILES for 2-methyl-1-prop-2-enylsilylprop-2-en-1-one is C=CC[SiH2]C(=O)C(=C)C.
What is the InChIKey of 2-methyl-1-prop-2-enylsilylprop-2-en-1-one?
The InChIKey is JTCPBLKSTRSXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OSi/c1-4-5-9-7(8)6(2)3/h4H,1-2,5,9H2,3H3.
What are the key properties of 2-methyl-1-prop-2-enylsilylprop-2-en-1-one?
2-methyl-1-prop-2-enylsilylprop-2-en-1-one has a molecular weight of 140.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enylsilylprop-2-en-1-one is sourced from PubChem (CID 173010007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).