7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one

C12H24O4Si — CID 123376782

IUPAC7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one
SMILESCC=CC(=O)C(O)CC[Si](C)(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-5-8-11(13)12(14)9-10-17(4,15-6-2)16-7-3/h5,8,12,14H,6-7,9-10H2,1-4H3
InChIKeyMXBVFONQOLVEDV-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.03
Rot. Bonds9

About 7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one

7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one (PubChem CID 123376782) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one.

Molecular Properties

Compound Name7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one
PubChem CID123376782
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one
SMILESCC=CC(=O)C(O)CC[Si](C)(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-5-8-11(13)12(14)9-10-17(4,15-6-2)16-7-3/h5,8,12,14H,6-7,9-10H2,1-4H3
InChIKeyMXBVFONQOLVEDV-UHFFFAOYSA-N
XLogP2.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-hydroxy-4-oxohept-5-ene-1-sulfonic acid
CID 173131410
3-[diethoxy(methyl)silyl]-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-1-ol
CID 150966310
1-amino-5-[diethoxy(methyl)silyl]-3-methoxypentan-2-one
CID 140738465
1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
CID 87593412
2-hydroxy-1-(oxiran-2-yl)hex-4-en-3-one
CID 174639875
2-[methyl(dipropoxy)silyl]ethyl but-2-enoate
CID 141215928
5-[diethoxy(methyl)silyl]pentan-2-yl prop-2-enoate
CID 141250825
2-[ethoxy-(3-hydroxypropyl)-propylsilyl]oxyhex-4-en-3-one
CID 141107020
bis[3-[diethoxy(methyl)silyl]propyl] carbonate
CID 54561598
1-[diethoxy(methyl)silyl]-N-methylhexan-3-amine
CID 175202132
methyl (E)-4-[3-[diethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoate
CID 59083277
methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771

Frequently Asked Questions

What is the IUPAC name of 7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one?
The IUPAC name of 7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one (CID 123376782) is 7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one.
What is the SMILES notation for 7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one?
The canonical SMILES for 7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one is CC=CC(=O)C(O)CC[Si](C)(OCC)OCC.
What is the InChIKey of 7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one?
The InChIKey is MXBVFONQOLVEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-5-8-11(13)12(14)9-10-17(4,15-6-2)16-7-3/h5,8,12,14H,6-7,9-10H2,1-4H3.
What are the key properties of 7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one?
7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one has a molecular weight of 260.41 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one is sourced from PubChem (CID 123376782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).