(2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one

C18H34O3Si — CID 23247712

IUPAC(2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one
SMILESC/C1=C/[C@@H](C)[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC(=O)CC1
InChIInChI=1S/C18H34O3Si/c1-13-9-10-16(19)21-17(14(2)11-13)15(3)12-20-22(7,8)18(4,5)6/h11,14-15,17H,9-10,12H2,1-8H3/b13-11-/t14-,15-,17+/m1/s1
InChIKeyUIYBXYSZAIEMOB-VMHZXUCRSA-N
MW326.55 g/mol
LogP4.93
Rot. Bonds4

About (2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one

(2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one (PubChem CID 23247712) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is (2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one.

Molecular Properties

Compound Name(2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one
PubChem CID23247712
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name(2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one
SMILESC/C1=C/[C@@H](C)[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC(=O)CC1
InChIInChI=1S/C18H34O3Si/c1-13-9-10-16(19)21-17(14(2)11-13)15(3)12-20-22(7,8)18(4,5)6/h11,14-15,17H,9-10,12H2,1-8H3/b13-11-/t14-,15-,17+/m1/s1
InChIKeyUIYBXYSZAIEMOB-VMHZXUCRSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.93
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 (2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl (E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 131668139
ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate
CID 154722300
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 11056141
(E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoic acid
CID 11045712
(4Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,3,6,7-tetrahydrooxocin-8-one
CID 11623556
tert-butyl (Z,2R,3R,4S)-6-iodo-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhept-5-enoate
CID 42600669
[(2S,4Z,6R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-8-oxo-2,3,6,7-tetrahydrooxocin-6-yl] acetate
CID 101340982
ethyl (E,2R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 125295114
[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
ethyl (E)-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylstannylbut-1-enyl]-5-iodohept-5-enoate
CID 135074517
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate
CID 139263494
5-(1,1,3,3,3-Pentamethyl-disiloxanyl)-pentanoic Acid 3,7-dimethyl-oct-6-enyl Ester
CID 54447955

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one?
The IUPAC name of (2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one (CID 23247712) is (2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one.
What is the SMILES notation for (2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one?
The canonical SMILES for (2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one is C/C1=C/[C@@H](C)[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC(=O)CC1.
What is the InChIKey of (2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one?
The InChIKey is UIYBXYSZAIEMOB-VMHZXUCRSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-13-9-10-16(19)21-17(14(2)11-13)15(3)12-20-22(7,8)18(4,5)6/h11,14-15,17H,9-10,12H2,1-8H3/b13-11-/t14-,15-,17+/m1/s1.
What are the key properties of (2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one?
(2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one has a molecular weight of 326.55 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4Z)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,3,6,7-tetrahydrooxocin-8-one is sourced from PubChem (CID 23247712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).