methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one

C12H26O2Si — CID 160733376

IUPACmethane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one
SMILESC.C=C(C)C(=O)CCC[SiH2]C(C)(C)OC
InChIInChI=1S/C11H22O2Si.CH4/c1-9(2)10(12)7-6-8-14-11(3,4)13-5;/h1,6-8,14H2,2-5H3;1H4
InChIKeyRUQCWQKTUOONAZ-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.52
Rot. Bonds7

About methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one

methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one (PubChem CID 160733376) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one.

Molecular Properties

Compound Namemethane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one
PubChem CID160733376
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Namemethane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one
SMILESC.C=C(C)C(=O)CCC[SiH2]C(C)(C)OC
InChIInChI=1S/C11H22O2Si.CH4/c1-9(2)10(12)7-6-8-14-11(3,4)13-5;/h1,6-8,14H2,2-5H3;1H4
InChIKeyRUQCWQKTUOONAZ-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one?
The IUPAC name of methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one (CID 160733376) is methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one.
What is the SMILES notation for methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one?
The canonical SMILES for methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one is C.C=C(C)C(=O)CCC[SiH2]C(C)(C)OC.
What is the InChIKey of methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one?
The InChIKey is RUQCWQKTUOONAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si.CH4/c1-9(2)10(12)7-6-8-14-11(3,4)13-5;/h1,6-8,14H2,2-5H3;1H4.
What are the key properties of methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one?
methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one has a molecular weight of 230.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one is sourced from PubChem (CID 160733376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).