(Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one

C19H36O2Si — CID 138985138

IUPAC(Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one
SMILESCC(C)C(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCO1
InChIInChI=1S/C19H36O2Si/c1-13(2)19(20)17(18-10-9-11-21-18)12-22(14(3)4,15(5)6)16(7)8/h12-16,18H,9-11H2,1-8H3/b17-12-
InChIKeyMRCJXZNAEGAIHW-ATVHPVEESA-N
MW324.58 g/mol
LogP5.53
Rot. Bonds7

About (Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one

(Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one (PubChem CID 138985138) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is (Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one
PubChem CID138985138
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name(Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one
SMILESCC(C)C(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCO1
InChIInChI=1S/C19H36O2Si/c1-13(2)19(20)17(18-10-9-11-21-18)12-22(14(3)4,15(5)6)16(7)8/h12-16,18H,9-11H2,1-8H3/b17-12-
InChIKeyMRCJXZNAEGAIHW-ATVHPVEESA-N
XLogP5.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.53
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

(z)-3-(Tetrahydrofuran-2-yl)-4-(triisopropylsilyl)but-3-en-2-one
CID 138983937
(z)-1-Cyclopropyl-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl) prop-2-en-1-one
CID 138983938
(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
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-(5-butyl-3-methylideneoxolan-2-yl)-3-methylheptan-2-one
CID 58990987
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(5S)-5-butyl-3-methylideneoxolan-2-yl]-3-methylheptan-2-one
CID 89798567
1-[Tert-butyl(dimethyl)silyl]-2-[cyclohexyl(methoxy)methyl]prop-2-en-1-one
CID 15039587
(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-(5-butyl-3-methylideneoxolan-2-yl)-3-methylheptan-2-one
CID 160309130

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one?
The IUPAC name of (Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one (CID 138985138) is (Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one.
What is the SMILES notation for (Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one?
The canonical SMILES for (Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one is CC(C)C(=O)/C(=C\[Si](C(C)C)(C(C)C)C(C)C)C1CCCO1.
What is the InChIKey of (Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one?
The InChIKey is MRCJXZNAEGAIHW-ATVHPVEESA-N. The full InChI is InChI=1S/C19H36O2Si/c1-13(2)19(20)17(18-10-9-11-21-18)12-22(14(3)4,15(5)6)16(7)8/h12-16,18H,9-11H2,1-8H3/b17-12-.
What are the key properties of (Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one?
(Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one has a molecular weight of 324.58 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-2-(oxolan-2-yl)-1-tri(propan-2-yl)silylpent-1-en-3-one is sourced from PubChem (CID 138985138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).