(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one

C15H28O3Si — CID 146018115

IUPAC(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one
SMILESCC(C)=C1C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C15H28O3Si/c1-10(2)13-11(3)12(18-14(13)16)9-17-19(7,8)15(4,5)6/h11-12H,9H2,1-8H3/t11-,12-/m1/s1
InChIKeyCHEREMVBUUWOML-VXGBXAGGSA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds3

About (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one

(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one (PubChem CID 146018115) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one
PubChem CID146018115
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one
SMILESCC(C)=C1C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C15H28O3Si/c1-10(2)13-11(3)12(18-14(13)16)9-17-19(7,8)15(4,5)6/h11-12H,9H2,1-8H3/t11-,12-/m1/s1
InChIKeyCHEREMVBUUWOML-VXGBXAGGSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one?
The IUPAC name of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one (CID 146018115) is (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one.
What is the SMILES notation for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one?
The canonical SMILES for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one is CC(C)=C1C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one?
The InChIKey is CHEREMVBUUWOML-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-10(2)13-11(3)12(18-14(13)16)9-17-19(7,8)15(4,5)6/h11-12H,9H2,1-8H3/t11-,12-/m1/s1.
What are the key properties of (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one?
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one has a molecular weight of 284.47 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-propan-2-ylideneoxolan-2-one is sourced from PubChem (CID 146018115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).