(E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one

C18H36OSi — CID 11808615

IUPAC(E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one
SMILESCC(=O)/C=C(\C)C(C)CC[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36OSi/c1-13(2)20(14(3)4,15(5)6)11-10-16(7)17(8)12-18(9)19/h12-16H,10-11H2,1-9H3/b17-12+
InChIKeySDVXRIQDZDAZQT-SFQUDFHCSA-N
MW296.57 g/mol
LogP6.23
Rot. Bonds8

About (E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one

(E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one (PubChem CID 11808615) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is (E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one.

Molecular Properties

Compound Name(E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one
PubChem CID11808615
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Name(E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one
SMILESCC(=O)/C=C(\C)C(C)CC[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36OSi/c1-13(2)20(14(3)4,15(5)6)11-10-16(7)17(8)12-18(9)19/h12-16H,10-11H2,1-9H3/b17-12+
InChIKeySDVXRIQDZDAZQT-SFQUDFHCSA-N
XLogP6.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one?
The IUPAC name of (E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one (CID 11808615) is (E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one.
What is the SMILES notation for (E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one?
The canonical SMILES for (E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one is CC(=O)/C=C(\C)C(C)CC[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one?
The InChIKey is SDVXRIQDZDAZQT-SFQUDFHCSA-N. The full InChI is InChI=1S/C18H36OSi/c1-13(2)20(14(3)4,15(5)6)11-10-16(7)17(8)12-18(9)19/h12-16H,10-11H2,1-9H3/b17-12+.
What are the key properties of (E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one?
(E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one has a molecular weight of 296.57 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,5-dimethyl-7-tri(propan-2-yl)silylhept-3-en-2-one is sourced from PubChem (CID 11808615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).