(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one

C15H28O3Si — CID 11087335

IUPAC(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one
SMILESC=CCCC[C@H]1OC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-7-8-9-10-12-13(11-14(16)17-12)18-19(5,6)15(2,3)4/h7,12-13H,1,8-11H2,2-6H3/t12-,13+/m1/s1
InChIKeyGPPGXFKATWCXOG-OLZOCXBDSA-N
MW284.47 g/mol
LogP4.05
Rot. Bonds6

About (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one (PubChem CID 11087335) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one
PubChem CID11087335
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one
SMILESC=CCCC[C@H]1OC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-7-8-9-10-12-13(11-14(16)17-12)18-19(5,6)15(2,3)4/h7,12-13H,1,8-11H2,2-6H3/t12-,13+/m1/s1
InChIKeyGPPGXFKATWCXOG-OLZOCXBDSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-5-heptyl-4-pent-4-en-2-yloxyoxolan-2-one
CID 44426427
(11Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxacyclopentadec-11-en-2-one
CID 11727960
(3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11143852
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridec-12-enyl]oxolan-2-one
CID 11338453
5-[3-(Trimethylsilylmethyl)but-3-enyl]oxolan-2-one
CID 15316014
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R)-5-hex-5-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
CID 71816825
3-tert-Butyldimethylsilyloxy-9-octadecenoic Acid Ethyl Ester
CID 171379460

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one?
The IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one (CID 11087335) is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one.
What is the SMILES notation for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one?
The canonical SMILES for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one is C=CCCC[C@H]1OC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one?
The InChIKey is GPPGXFKATWCXOG-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-7-8-9-10-12-13(11-14(16)17-12)18-19(5,6)15(2,3)4/h7,12-13H,1,8-11H2,2-6H3/t12-,13+/m1/s1.
What are the key properties of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one?
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one has a molecular weight of 284.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-one is sourced from PubChem (CID 11087335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).