4-hydroxy-1-trimethoxysilylhex-5-en-3-one

C9H18O5Si — CID 91292581

IUPAC4-hydroxy-1-trimethoxysilylhex-5-en-3-one
SMILESC=CC(O)C(=O)CC[Si](OC)(OC)OC
InChIInChI=1S/C9H18O5Si/c1-5-8(10)9(11)6-7-15(12-2,13-3)14-4/h5,8,10H,1,6-7H2,2-4H3
InChIKeyHCRDYEKKXLJFPD-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.37
Rot. Bonds8

About 4-hydroxy-1-trimethoxysilylhex-5-en-3-one

4-hydroxy-1-trimethoxysilylhex-5-en-3-one (PubChem CID 91292581) has the molecular formula C9H18O5Si and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-hydroxy-1-trimethoxysilylhex-5-en-3-one.

Molecular Properties

Compound Name4-hydroxy-1-trimethoxysilylhex-5-en-3-one
PubChem CID91292581
Molecular FormulaC9H18O5Si
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name4-hydroxy-1-trimethoxysilylhex-5-en-3-one
SMILESC=CC(O)C(=O)CC[Si](OC)(OC)OC
InChIInChI=1S/C9H18O5Si/c1-5-8(10)9(11)6-7-15(12-2,13-3)14-4/h5,8,10H,1,6-7H2,2-4H3
InChIKeyHCRDYEKKXLJFPD-UHFFFAOYSA-N
XLogP0.37
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-trimethoxysilylpentan-2-yl)prop-2-enamide
CID 172553475
1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate
CID 141039341
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
N-(trimethoxysilylmethyl)pent-4-enamide
CID 91315937
2-hydroxybut-3-enoyloxymethyl 2-hydroxybut-3-enoate
CID 157483884
N-(trimethoxysilylmethyl)but-3-enamide
CID 87602585
[dimethoxy(propyl)silyl]oxymethyl prop-2-enoate
CID 87123617
1,5-bis(trimethoxysilyl)pentan-3-ol
CID 142667270
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
acetic acid;ethenyl 11-trimethoxysilylundecanoate
CID 174383709
[dimethoxy(2-methoxyethyl)silyl]oxymethyl prop-2-enoate
CID 151222995
(acetyloxy-methoxy-prop-2-enylsilyl) acetate
CID 87365472

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-trimethoxysilylhex-5-en-3-one?
The IUPAC name of 4-hydroxy-1-trimethoxysilylhex-5-en-3-one (CID 91292581) is 4-hydroxy-1-trimethoxysilylhex-5-en-3-one.
What is the SMILES notation for 4-hydroxy-1-trimethoxysilylhex-5-en-3-one?
The canonical SMILES for 4-hydroxy-1-trimethoxysilylhex-5-en-3-one is C=CC(O)C(=O)CC[Si](OC)(OC)OC.
What is the InChIKey of 4-hydroxy-1-trimethoxysilylhex-5-en-3-one?
The InChIKey is HCRDYEKKXLJFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5Si/c1-5-8(10)9(11)6-7-15(12-2,13-3)14-4/h5,8,10H,1,6-7H2,2-4H3.
What are the key properties of 4-hydroxy-1-trimethoxysilylhex-5-en-3-one?
4-hydroxy-1-trimethoxysilylhex-5-en-3-one has a molecular weight of 234.32 g/mol, XLogP of 0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-trimethoxysilylhex-5-en-3-one is sourced from PubChem (CID 91292581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).