5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one

C16H32O4Si — CID 141107019

IUPAC5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one
SMILESCC=CC(=O)C(CCC)O[Si](C)(CCCO)OCCCC
InChIInChI=1S/C16H32O4Si/c1-5-8-13-19-21(4,14-9-12-17)20-16(11-7-3)15(18)10-6-2/h6,10,16-17H,5,7-9,11-14H2,1-4H3
InChIKeyMDOQGZBSFBHJNK-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.59
Rot. Bonds13

About 5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one

5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one (PubChem CID 141107019) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one.

Molecular Properties

Compound Name5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one
PubChem CID141107019
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one
SMILESCC=CC(=O)C(CCC)O[Si](C)(CCCO)OCCCC
InChIInChI=1S/C16H32O4Si/c1-5-8-13-19-21(4,14-9-12-17)20-16(11-7-3)15(18)10-6-2/h6,10,16-17H,5,7-9,11-14H2,1-4H3
InChIKeyMDOQGZBSFBHJNK-UHFFFAOYSA-N
XLogP3.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-Trimethylsilyloxycyclohex-2-en-1-one
CID 25191932
(E,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal
CID 71514606
(Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal
CID 138979141
6-Methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
CID 57306257
7-[Chloro(dimethyl)silyl]-5-hydroxyhept-2-en-4-one
CID 91015021
6-(Tert-butyldimethylsilyloxy)cyclohex-2-enone
CID 102133175
7-[Diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one
CID 123376782
7-[Dimethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one
CID 124007442
6-Triethylsilyloxycyclohex-2-en-1-one
CID 139985457
6-Tri(propan-2-yl)silyloxycyclohex-2-en-1-one
CID 139985488
5-[Ethyl-(3-hydroxypropyl)-propoxysilyl]oxyhept-2-en-4-one
CID 141107012
5-[Butoxy-ethyl-(3-hydroxypropyl)silyl]oxyoct-2-en-4-one
CID 141107013

Frequently Asked Questions

What is the IUPAC name of 5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one?
The IUPAC name of 5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one (CID 141107019) is 5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one.
What is the SMILES notation for 5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one?
The canonical SMILES for 5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one is CC=CC(=O)C(CCC)O[Si](C)(CCCO)OCCCC.
What is the InChIKey of 5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one?
The InChIKey is MDOQGZBSFBHJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-5-8-13-19-21(4,14-9-12-17)20-16(11-7-3)15(18)10-6-2/h6,10,16-17H,5,7-9,11-14H2,1-4H3.
What are the key properties of 5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one?
5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one has a molecular weight of 316.51 g/mol, XLogP of 3.59, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one is sourced from PubChem (CID 141107019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).