(Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one

C19H34O2Si — CID 138983938

IUPAC(Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one
SMILESCC(C)[Si](/C=C(\C(=O)C1CC1)C1CCCO1)(C(C)C)C(C)C
InChIInChI=1S/C19H34O2Si/c1-13(2)22(14(3)4,15(5)6)12-17(18-8-7-11-21-18)19(20)16-9-10-16/h12-16,18H,7-11H2,1-6H3/b17-12-
InChIKeyUZVQNFBMUXCCFP-ATVHPVEESA-N
MW322.57 g/mol
LogP5.29
Rot. Bonds7

About (Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one

(Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one (PubChem CID 138983938) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is (Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one
PubChem CID138983938
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name(Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one
SMILESCC(C)[Si](/C=C(\C(=O)C1CC1)C1CCCO1)(C(C)C)C(C)C
InChIInChI=1S/C19H34O2Si/c1-13(2)22(14(3)4,15(5)6)12-17(18-8-7-11-21-18)19(20)16-9-10-16/h12-16,18H,7-11H2,1-6H3/b17-12-
InChIKeyUZVQNFBMUXCCFP-ATVHPVEESA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.29
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)-4-Methyl-2-(tetrahydrofuran-2-yl)-1-(triisopropylsilyl) pent-1-en-3-one
CID 138985138
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one?
The IUPAC name of (Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one (CID 138983938) is (Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one?
The canonical SMILES for (Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one is CC(C)[Si](/C=C(\C(=O)C1CC1)C1CCCO1)(C(C)C)C(C)C.
What is the InChIKey of (Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one?
The InChIKey is UZVQNFBMUXCCFP-ATVHPVEESA-N. The full InChI is InChI=1S/C19H34O2Si/c1-13(2)22(14(3)4,15(5)6)12-17(18-8-7-11-21-18)19(20)16-9-10-16/h12-16,18H,7-11H2,1-6H3/b17-12-.
What are the key properties of (Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one?
(Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one has a molecular weight of 322.57 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopropyl-2-(oxolan-2-yl)-3-tri(propan-2-yl)silylprop-2-en-1-one is sourced from PubChem (CID 138983938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).