6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one

C15H30O5Si — CID 140528250

IUPAC6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one
SMILESC=CC(=O)CCCO[Si](OCCC)(OCCC)C(O)CC
InChIInChI=1S/C15H30O5Si/c1-5-11-18-21(15(17)8-4,19-12-6-2)20-13-9-10-14(16)7-3/h7,15,17H,3,5-6,8-13H2,1-2,4H3
InChIKeyGPDCTVGZQQAINQ-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.64
Rot. Bonds14

About 6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one

6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one (PubChem CID 140528250) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is 6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one.

Molecular Properties

Compound Name6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one
PubChem CID140528250
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one
SMILESC=CC(=O)CCCO[Si](OCCC)(OCCC)C(O)CC
InChIInChI=1S/C15H30O5Si/c1-5-11-18-21(15(17)8-4,19-12-6-2)20-13-9-10-14(16)7-3/h7,15,17H,3,5-6,8-13H2,1-2,4H3
InChIKeyGPDCTVGZQQAINQ-UHFFFAOYSA-N
XLogP2.64
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-tripropoxysilylhex-1-en-3-one
CID 175009211
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
6-(2-oxobut-3-enoxy)hex-1-en-3-one
CID 147998253
6-(methoxymethyl)dec-1-en-3-one
CID 123986515
6-ethyloct-1-en-3-one
CID 83963336
6-[3-chloro-1-(4-oxohex-5-enoxy)propoxy]hex-1-en-3-one
CID 158653492
5-(2-methylpropoxy)pent-1-en-3-one
CID 161282003
1-tributoxysilylpropylurea
CID 87205121
6-methylnon-1-en-3-one
CID 173408928
9-trimethylsilylnon-1-en-3-one
CID 172735839
1-tripropoxysilylbutyl 2-methylprop-2-enoate
CID 21430825

Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one?
The IUPAC name of 6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one (CID 140528250) is 6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one.
What is the SMILES notation for 6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one?
The canonical SMILES for 6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one is C=CC(=O)CCCO[Si](OCCC)(OCCC)C(O)CC.
What is the InChIKey of 6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one?
The InChIKey is GPDCTVGZQQAINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-5-11-18-21(15(17)8-4,19-12-6-2)20-13-9-10-14(16)7-3/h7,15,17H,3,5-6,8-13H2,1-2,4H3.
What are the key properties of 6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one?
6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one has a molecular weight of 318.49 g/mol, XLogP of 2.64, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxypropyl(dipropoxy)silyl]oxyhex-1-en-3-one is sourced from PubChem (CID 140528250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).