[(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate

C14H28O3Si — CID 11448684

IUPAC[(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
SMILESC=C[C@@H](CCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C14H28O3Si/c1-8-13(17-12(2)15)10-9-11-16-18(6,7)14(3,4)5/h8,13H,1,9-11H2,2-7H3/t13-/m0/s1
InChIKeyGPSXVSLPMMFUKI-ZDUSSCGKSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds7

About [(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate

[(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate (PubChem CID 11448684) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
PubChem CID11448684
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
SMILESC=C[C@@H](CCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C14H28O3Si/c1-8-13(17-12(2)15)10-9-11-16-18(6,7)14(3,4)5/h8,13H,1,9-11H2,2-7H3/t13-/m0/s1
InChIKeyGPSXVSLPMMFUKI-ZDUSSCGKSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
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

2-Propen-1-ol, 2-(trimethylsilyl)methyl-, acetate
CID 552360
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
[(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate
CID 11546028
[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
CID 11594572
4-Trimethylsilylhex-5-en-2-yl acetate
CID 12865712
[(E)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715792
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715793
Prop-2-enyl 8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,3-dienoate
CID 44817642
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
8-[Tert-butyl(dimethyl)silyl]oxyocta-2,3-dienyl acetate
CID 46188086
2-(Trimethylsilylmethyl)penta-1,4-dien-3-yl acetate
CID 60203737

Frequently Asked Questions

What is the IUPAC name of [(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate?
The IUPAC name of [(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate (CID 11448684) is [(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate.
What is the SMILES notation for [(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate?
The canonical SMILES for [(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate is C=C[C@@H](CCCO[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of [(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate?
The InChIKey is GPSXVSLPMMFUKI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-8-13(17-12(2)15)10-9-11-16-18(6,7)14(3,4)5/h8,13H,1,9-11H2,2-7H3/t13-/m0/s1.
What are the key properties of [(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate?
[(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate is sourced from PubChem (CID 11448684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).