(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one

C13H26O2Si — CID 11096806

IUPAC(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one
SMILESCC(=O)CC/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-12(14)10-8-7-9-11-15-16(5,6)13(2,3)4/h7,9H,8,10-11H2,1-6H3/b9-7-
InChIKeyMFVHBFTUTJKDPY-CLFYSBASSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds6

About (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one

(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one (PubChem CID 11096806) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one.

Molecular Properties

Compound Name(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one
PubChem CID11096806
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one
SMILESCC(=O)CC/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-12(14)10-8-7-9-11-15-16(5,6)13(2,3)4/h7,9H,8,10-11H2,1-6H3/b9-7-
InChIKeyMFVHBFTUTJKDPY-CLFYSBASSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one?
The IUPAC name of (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one (CID 11096806) is (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one.
What is the SMILES notation for (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one?
The canonical SMILES for (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one is CC(=O)CC/C=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one?
The InChIKey is MFVHBFTUTJKDPY-CLFYSBASSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-12(14)10-8-7-9-11-15-16(5,6)13(2,3)4/h7,9H,8,10-11H2,1-6H3/b9-7-.
What are the key properties of (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one?
(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one has a molecular weight of 242.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one is sourced from PubChem (CID 11096806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).