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

C11H22O2Si — CID 123495832

IUPAC6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC[SiH2]C(C)(C)OC
InChIInChI=1S/C11H22O2Si/c1-9(2)10(12)7-6-8-14-11(3,4)13-5/h1,6-8,14H2,2-5H3
InChIKeyHNFHVOQUFIFJJN-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.88
Rot. Bonds7

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

6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one (PubChem CID 123495832) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one
PubChem CID123495832
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCC[SiH2]C(C)(C)OC
InChIInChI=1S/C11H22O2Si/c1-9(2)10(12)7-6-8-14-11(3,4)13-5/h1,6-8,14H2,2-5H3
InChIKeyHNFHVOQUFIFJJN-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.88
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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Related Compounds

methane;6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one
CID 160733376
3-(2-methoxypropan-2-ylsilyl)propyl 3-oxobutanoate
CID 123690492
2-methyloct-1-en-3-one
CID 12585814
2,8,8-trimethyldec-1-ene-3,7-dione
CID 89037444
7-methoxy-2-methylhept-1-en-3-one;yttrium
CID 59537182
2-methyl-12-trimethoxysilyldodec-1-en-3-one
CID 176884271
2-methylhentriacont-1-en-3-one
CID 153436335
2-methyltridec-1-en-3-one
CID 91110358
2-methylnonadec-1-en-3-one
CID 150628128
2-methyl-7-silyloxyhept-1-en-3-one
CID 150129345
tert-butyl N-methyl-N-(5-methyl-4-oxohex-5-enyl)carbamate
CID 167204314
2-methyl-5-(3-methylsilylpropylamino)pent-1-en-3-one
CID 123775544

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one?
The IUPAC name of 6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one (CID 123495832) is 6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one.
What is the SMILES notation for 6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one?
The canonical SMILES for 6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one is C=C(C)C(=O)CCC[SiH2]C(C)(C)OC.
What is the InChIKey of 6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one?
The InChIKey is HNFHVOQUFIFJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-9(2)10(12)7-6-8-14-11(3,4)13-5/h1,6-8,14H2,2-5H3.
What are the key properties of 6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one?
6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one has a molecular weight of 214.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one is sourced from PubChem (CID 123495832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).