(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one

C17H30O3Si — CID 25058922

IUPAC(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one
SMILESCC#CCC[C@]1(C)C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C17H30O3Si/c1-8-9-10-11-17(5)12-14(20-15(17)18)13-19-21(6,7)16(2,3)4/h14H,10-13H2,1-7H3/t14-,17+/m0/s1
InChIKeyNFTRIJBEAMDNFW-WMLDXEAASA-N
MW310.51 g/mol
LogP4.13
Rot. Bonds5

About (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one

(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one (PubChem CID 25058922) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one
PubChem CID25058922
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Name(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one
SMILESCC#CCC[C@]1(C)C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C17H30O3Si/c1-8-9-10-11-17(5)12-14(20-15(17)18)13-19-21(6,7)16(2,3)4/h14H,10-13H2,1-7H3/t14-,17+/m0/s1
InChIKeyNFTRIJBEAMDNFW-WMLDXEAASA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one?
The IUPAC name of (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one (CID 25058922) is (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one?
The canonical SMILES for (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one is CC#CCC[C@]1(C)C[C@@H](CO[Si](C)(C)C(C)(C)C)OC1=O.
What is the InChIKey of (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one?
The InChIKey is NFTRIJBEAMDNFW-WMLDXEAASA-N. The full InChI is InChI=1S/C17H30O3Si/c1-8-9-10-11-17(5)12-14(20-15(17)18)13-19-21(6,7)16(2,3)4/h14H,10-13H2,1-7H3/t14-,17+/m0/s1.
What are the key properties of (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one?
(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one has a molecular weight of 310.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3-pent-3-ynyloxolan-2-one is sourced from PubChem (CID 25058922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).