ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate

C16H32O4Si — CID 56849813

IUPACethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)CC(C)(O)C(=O)OCC
InChIInChI=1S/C16H32O4Si/c1-9-19-14(17)16(6,18)12-13(2)10-11-20-21(7,8)15(3,4)5/h18H,2,9-12H2,1,3-8H3
InChIKeyIRYGUGICSZRFQH-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.66
Rot. Bonds8

About ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate

ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate (PubChem CID 56849813) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate.

Molecular Properties

Compound Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate
PubChem CID56849813
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)CC(C)(O)C(=O)OCC
InChIInChI=1S/C16H32O4Si/c1-9-19-14(17)16(6,18)12-13(2)10-11-20-21(7,8)15(3,4)5/h18H,2,9-12H2,1,3-8H3
InChIKeyIRYGUGICSZRFQH-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S,3R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoate
CID 11210874
diethyl (2R)-2-hydroxy-2-methylbutanedioate
CID 12732542
5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 11558121
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]acetate
CID 10660119
ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate
CID 11832051
ethyl 4-(dimethylamino)-2-hydroxy-2-methyl-4-oxobutanoate
CID 87491131
1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol
CID 142478700
diethyl (2S)-2-hydroxy-2-methyl-4-oxopentanedioate
CID 11630017
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate?
The IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate (CID 56849813) is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate.
What is the SMILES notation for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate?
The canonical SMILES for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate is C=C(CCO[Si](C)(C)C(C)(C)C)CC(C)(O)C(=O)OCC.
What is the InChIKey of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate?
The InChIKey is IRYGUGICSZRFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-9-19-14(17)16(6,18)12-13(2)10-11-20-21(7,8)15(3,4)5/h18H,2,9-12H2,1,3-8H3.
What are the key properties of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate?
ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate 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 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate is sourced from PubChem (CID 56849813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).