(Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one

C17H32O2Si — CID 138983937

IUPAC(Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one
SMILESCC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCO1
InChIInChI=1S/C17H32O2Si/c1-12(2)20(13(3)4,14(5)6)11-16(15(7)18)17-9-8-10-19-17/h11-14,17H,8-10H2,1-7H3/b16-11+
InChIKeyWLFZADFUSUMTLE-LFIBNONCSA-N
MW296.53 g/mol
LogP4.90
Rot. Bonds6

About (Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one

(Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one (PubChem CID 138983937) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one
PubChem CID138983937
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one
SMILESCC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCO1
InChIInChI=1S/C17H32O2Si/c1-12(2)20(13(3)4,14(5)6)11-16(15(7)18)17-9-8-10-19-17/h11-14,17H,8-10H2,1-7H3/b16-11+
InChIKeyWLFZADFUSUMTLE-LFIBNONCSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.90
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'}

Analyze (Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(z)-1-Cyclopropyl-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl) prop-2-en-1-one
CID 138983938
Ethyl (z)-2-(tetrahydro-2h-pyran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138983944
(z)-4-Methyl-2-(tetrahydrofuran-2-yl)-1-(triisopropylsilyl) pent-1-en-3-one
CID 138985138
Ethyl (z)-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138985139
(z)-1-Cyclohexyl-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl)prop-2-en-1-one
CID 171037539
(z)-2-(Tetrahydrofuran-2-yl)-1-(triisopropylsilyl)tetradec-1-en-3-one
CID 171037561
3-Tetrahydro-2-furanyl-3-buten-2-one
CID 14691623

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one?
The IUPAC name of (Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one (CID 138983937) is (Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one.
What is the SMILES notation for (Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one?
The canonical SMILES for (Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one is CC(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCO1.
What is the InChIKey of (Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one?
The InChIKey is WLFZADFUSUMTLE-LFIBNONCSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-12(2)20(13(3)4,14(5)6)11-16(15(7)18)17-9-8-10-19-17/h11-14,17H,8-10H2,1-7H3/b16-11+.
What are the key properties of (Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one?
(Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one has a molecular weight of 296.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(oxolan-2-yl)-4-tri(propan-2-yl)silylbut-3-en-2-one is sourced from PubChem (CID 138983937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).