ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate

C16H32O4Si — CID 11580515

IUPACethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate
SMILESCCOC(=O)/C(C)=C/CC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-8-19-15(18)13(2)10-9-11-14(17)12-20-21(6,7)16(3,4)5/h10,14,17H,8-9,11-12H2,1-7H3/b13-10+/t14-/m0/s1
InChIKeyUVHMEPLOPXPICD-UELRPHRMSA-N
MW316.51 g/mol
LogP3.66
Rot. Bonds8

About ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate

ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate (PubChem CID 11580515) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate.

Molecular Properties

Compound Nameethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate
PubChem CID11580515
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Nameethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate
SMILESCCOC(=O)/C(C)=C/CC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-8-19-15(18)13(2)10-9-11-14(17)12-20-21(6,7)16(3,4)5/h10,14,17H,8-9,11-12H2,1-7H3/b13-10+/t14-/m0/s1
InChIKeyUVHMEPLOPXPICD-UELRPHRMSA-N
XLogP3.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate
CID 158562183
ethyl (E,6S,7R)-6,7,8-trihydroxy-2-methyloct-2-enoate
CID 125476009
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
ethyl (2E,6Z,10E,14E,18E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaenoate
CID 15895664
ethyl 6-(tert-butylamino)-2-methylhex-2-enoate
CID 91118439
ethyl (6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethylhept-2-enoate
CID 90724731
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 11379901
ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate
CID 11111423
ethyl (E,6R,8Z)-8-hydroxyimino-2,6-dimethyloct-2-enoate
CID 11770193
ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11210874

Frequently Asked Questions

What is the IUPAC name of ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate?
The IUPAC name of ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate (CID 11580515) is ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate.
What is the SMILES notation for ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate?
The canonical SMILES for ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate is CCOC(=O)/C(C)=C/CC[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate?
The InChIKey is UVHMEPLOPXPICD-UELRPHRMSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-8-19-15(18)13(2)10-9-11-14(17)12-20-21(6,7)16(3,4)5/h10,14,17H,8-9,11-12H2,1-7H3/b13-10+/t14-/m0/s1.
What are the key properties of ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate?
ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate has a molecular weight of 316.51 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-methylhept-2-enoate is sourced from PubChem (CID 11580515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).