ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate

C14H28O3Si — CID 10901749

IUPACethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
SMILESC=CC[C@@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-8-10-12(11-13(15)16-9-2)17-18(6,7)14(3,4)5/h8,12H,1,9-11H2,2-7H3/t12-/m0/s1
InChIKeyDUVSQXNYKDZLMS-LBPRGKRZSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds7

About ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate

ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate (PubChem CID 10901749) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate.

Molecular Properties

Compound Nameethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
PubChem CID10901749
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
SMILESC=CC[C@@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-8-10-12(11-13(15)16-9-2)17-18(6,7)14(3,4)5/h8,12H,1,9-11H2,2-7H3/t12-/m0/s1
InChIKeyDUVSQXNYKDZLMS-LBPRGKRZSA-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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(R)-3-(tert-Butyldimethylsilyloxy)-5-hexenoic acid
CID 14110578
Ethyl 3(R)-(tert-butyldimethylsilyloxy)-5-hexenoate
CID 11065603
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
(R)-Methyl 3-((tert-butyldimethylsilyl)oxy)hex-5-enoate
CID 14926558
tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
CID 138971087
Methyl 3-methyl-3-tri(propan-2-yl)silyloxyhex-5-enoate
CID 15214226
methyl (Z,3R)-3-hydroxy-6-trimethylsilylhex-5-enoate
CID 46944472
[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate
CID 53343505
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11150361
Tert-butyl 3-[(tert-butyldimethylsilyl)oxy]pent-4-enoate
CID 14926561
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 15599666

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The IUPAC name of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate (CID 10901749) is ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate.
What is the SMILES notation for ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The canonical SMILES for ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate is C=CC[C@@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
The InChIKey is DUVSQXNYKDZLMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-8-10-12(11-13(15)16-9-2)17-18(6,7)14(3,4)5/h8,12H,1,9-11H2,2-7H3/t12-/m0/s1.
What are the key properties of ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate?
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate 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 ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate is sourced from PubChem (CID 10901749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).