(5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one

C15H28O3Si — CID 134957518

IUPAC(5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one
SMILESC=CC[Si](C)(C)OCC(C)(C=C)[C@@H](O)CCC(C)=O
InChIInChI=1S/C15H28O3Si/c1-7-11-19(5,6)18-12-15(4,8-2)14(17)10-9-13(3)16/h7-8,14,17H,1-2,9-12H2,3-6H3/t14-,15?/m0/s1
InChIKeyRVHZFOMNWSCACC-MLCCFXAWSA-N
MW284.47 g/mol
LogP3.32
Rot. Bonds10

About (5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one

(5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one (PubChem CID 134957518) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one.

Molecular Properties

Compound Name(5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one
PubChem CID134957518
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one
SMILESC=CC[Si](C)(C)OCC(C)(C=C)[C@@H](O)CCC(C)=O
InChIInChI=1S/C15H28O3Si/c1-7-11-19(5,6)18-12-15(4,8-2)14(17)10-9-13(3)16/h7-8,14,17H,1-2,9-12H2,3-6H3/t14-,15?/m0/s1
InChIKeyRVHZFOMNWSCACC-MLCCFXAWSA-N
XLogP3.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one?
The IUPAC name of (5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one (CID 134957518) is (5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one.
What is the SMILES notation for (5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one?
The canonical SMILES for (5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one is C=CC[Si](C)(C)OCC(C)(C=C)[C@@H](O)CCC(C)=O.
What is the InChIKey of (5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one?
The InChIKey is RVHZFOMNWSCACC-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-7-11-19(5,6)18-12-15(4,8-2)14(17)10-9-13(3)16/h7-8,14,17H,1-2,9-12H2,3-6H3/t14-,15?/m0/s1.
What are the key properties of (5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one?
(5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one has a molecular weight of 284.47 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-[[dimethyl(prop-2-enyl)silyl]oxymethyl]-5-hydroxy-6-methyloct-7-en-2-one is sourced from PubChem (CID 134957518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).