(Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one

C9H16OSi — CID 10964920

IUPAC(Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one
SMILESC=CC[Si](C)(C)/C=C\C(C)=O
InChIInChI=1S/C9H16OSi/c1-5-7-11(3,4)8-6-9(2)10/h5-6,8H,1,7H2,2-4H3/b8-6-
InChIKeyIXHXTFXDOXPZFW-VURMDHGXSA-N
MW168.31 g/mol
LogP2.57
Rot. Bonds4

About (Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one

(Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one (PubChem CID 10964920) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is (Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one
PubChem CID10964920
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name(Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one
SMILESC=CC[Si](C)(C)/C=C\C(C)=O
InChIInChI=1S/C9H16OSi/c1-5-7-11(3,4)8-6-9(2)10/h5-6,8H,1,7H2,2-4H3/b8-6-
InChIKeyIXHXTFXDOXPZFW-VURMDHGXSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.57
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

ethenyl-dimethyl-prop-2-enylsilane
CID 559077
(E)-4-[tert-butyl(dimethyl)silyl]but-3-en-2-one
CID 10511716
(E)-hex-3-ene-2,5-dione
CID 5363639
deca-3,6,9-trien-2-one
CID 139932510
[acetyloxy-bis(prop-2-enyl)silyl] acetate
CID 18366415
(E)-5-prop-2-enoxypent-3-en-2-one
CID 45085584
magnesium;methanidyl-dimethyl-prop-2-enylsilane;chloride
CID 11194608
tris(prop-2-enyl)silylformic acid
CID 87199222
[dicarboxy(prop-2-enyl)silyl]formic acid
CID 142722982
(acetyloxy-methoxy-prop-2-enylsilyl) acetate
CID 87365472
tris(but-3-en-2-one);tungsten
CID 54606302
but-3-en-2-one;hydrochloride
CID 172746503

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one?
The IUPAC name of (Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one (CID 10964920) is (Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one.
What is the SMILES notation for (Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one?
The canonical SMILES for (Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one is C=CC[Si](C)(C)/C=C\C(C)=O.
What is the InChIKey of (Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one?
The InChIKey is IXHXTFXDOXPZFW-VURMDHGXSA-N. The full InChI is InChI=1S/C9H16OSi/c1-5-7-11(3,4)8-6-9(2)10/h5-6,8H,1,7H2,2-4H3/b8-6-.
What are the key properties of (Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one?
(Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one has a molecular weight of 168.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[dimethyl(prop-2-enyl)silyl]but-3-en-2-one is sourced from PubChem (CID 10964920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).