[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate

C15H30O3Si — CID 11380641

IUPAC[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
SMILESC=C[C@H](CC[C@H](C)O[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C15H30O3Si/c1-9-14(17-13(3)16)11-10-12(2)18-19(7,8)15(4,5)6/h9,12,14H,1,10-11H2,2-8H3/t12-,14+/m0/s1
InChIKeyREKGOTPOPZOUGD-GXTWGEPZSA-N
MW286.49 g/mol
LogP4.29
Rot. Bonds7

About [(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate

[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate (PubChem CID 11380641) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
PubChem CID11380641
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
SMILESC=C[C@H](CC[C@H](C)O[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C15H30O3Si/c1-9-14(17-13(3)16)11-10-12(2)18-19(7,8)15(4,5)6/h9,12,14H,1,10-11H2,2-8H3/t12-,14+/m0/s1
InChIKeyREKGOTPOPZOUGD-GXTWGEPZSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.29
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'}

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Related Compounds

(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one
CID 10634857
[(3R,7S)-7-acetyloxynona-1,8-dien-3-yl] acetate
CID 92532320
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undecan-6-one
CID 10598768
3-acetyloxypent-4-enyl acetate
CID 12815001
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
6-iodohex-1-en-3-yl acetate
CID 10858470
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
CID 71401033
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
(7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-dimethylphosphoryloctan-2-one
CID 159432713
[(4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,7-dien-2-yl] acetate
CID 102139753
[(3R)-pent-1-en-3-yl] acetate
CID 92859949

Frequently Asked Questions

What is the IUPAC name of [(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate?
The IUPAC name of [(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate (CID 11380641) is [(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate.
What is the SMILES notation for [(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate?
The canonical SMILES for [(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate is C=C[C@H](CC[C@H](C)O[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of [(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate?
The InChIKey is REKGOTPOPZOUGD-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-9-14(17-13(3)16)11-10-12(2)18-19(7,8)15(4,5)6/h9,12,14H,1,10-11H2,2-8H3/t12-,14+/m0/s1.
What are the key properties of [(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate?
[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate has a molecular weight of 286.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate is sourced from PubChem (CID 11380641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).