(4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one

C16H30O3Si — CID 11623556

IUPAC(4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one
SMILESC[C@H](CC1C/C=C\CCC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-13(19-20(5,6)16(2,3)4)12-14-10-8-7-9-11-15(17)18-14/h7-8,13-14H,9-12H2,1-6H3/b8-7-/t13-,14?/m1/s1
InChIKeyYMEQTWLMGVLDLV-MJYORCSJSA-N
MW298.50 g/mol
LogP4.44
Rot. Bonds4

About (4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one

(4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one (PubChem CID 11623556) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one.

Molecular Properties

Compound Name(4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one
PubChem CID11623556
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one
SMILESC[C@H](CC1C/C=C\CCC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-13(19-20(5,6)16(2,3)4)12-14-10-8-7-9-11-15(17)18-14/h7-8,13-14H,9-12H2,1-6H3/b8-7-/t13-,14?/m1/s1
InChIKeyYMEQTWLMGVLDLV-MJYORCSJSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one with MolForge

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Launch Full Analysis

Related Compounds

Methyl (e)-8-[t-butyl(dimethyl)silyloxy]oct-5-enoate
CID 132281217
ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate
CID 134980795
(5E,8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-1-oxacyclotetradec-5-en-2-one
CID 10862501
(6R)-6-(Tert-butyldimethylsilyloxy)-8-pivaloyloxy-2-methyloct-2-ene
CID 101618229
ethyl (E)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10071970
ethyl (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10478458
[3-[Tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl] acetate
CID 70096591
(E)-ethyl 7-((tert-butyldimethylsilyl)oxy)-4-methylnon-4-enoate
CID 131744080
18-[Tert-butyl(dimethyl)silyl]oxyoctadec-9-en-7-yl hexanoate
CID 162391428
18-[tert-butyl(dimethyl)silyl]oxyoctadec-9-en-7-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 162391434
[(Z,7R)-18-[tert-butyl(dimethyl)silyl]oxyoctadec-9-en-7-yl] hexanoate
CID 162517806
[(Z,7R)-18-[tert-butyl(dimethyl)silyl]oxyoctadec-9-en-7-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 162517813

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one?
The IUPAC name of (4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one (CID 11623556) is (4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one.
What is the SMILES notation for (4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one?
The canonical SMILES for (4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one is C[C@H](CC1C/C=C\CCC(=O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one?
The InChIKey is YMEQTWLMGVLDLV-MJYORCSJSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-13(19-20(5,6)16(2,3)4)12-14-10-8-7-9-11-15(17)18-14/h7-8,13-14H,9-12H2,1-6H3/b8-7-/t13-,14?/m1/s1.
What are the key properties of (4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one?
(4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one has a molecular weight of 298.50 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one is sourced from PubChem (CID 11623556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).