methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate

C25H50O3Si2 — CID 164685085

IUPACmethyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate
SMILESCCC(=C=C[Si](C)(C)C)CC[C@](C)(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC
InChIInChI=1S/C25H50O3Si2/c1-13-23(15-19-29(10,11)12)14-16-25(8,24(26)27-9)17-18-28-30(20(2)3,21(4)5)22(6)7/h19-22H,13-14,16-18H2,1-12H3/t15?,25-/m1/s1
InChIKeyUMKRATWWQIWRSN-FFMAFDDDSA-N
MW454.84 g/mol
LogP7.90
Rot. Bonds13

About methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate

methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate (PubChem CID 164685085) has the molecular formula C25H50O3Si2 and a molecular weight of 454.84 g/mol. Its IUPAC name is methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate.

Molecular Properties

Compound Namemethyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate
PubChem CID164685085
Molecular FormulaC25H50O3Si2
Molecular Weight454.84 g/mol
Exact Mass454.33
IUPAC Namemethyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate
SMILESCCC(=C=C[Si](C)(C)C)CC[C@](C)(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC
InChIInChI=1S/C25H50O3Si2/c1-13-23(15-19-29(10,11)12)14-16-25(8,24(26)27-9)17-18-28-30(20(2)3,21(4)5)22(6)7/h19-22H,13-14,16-18H2,1-12H3/t15?,25-/m1/s1
InChIKeyUMKRATWWQIWRSN-FFMAFDDDSA-N
XLogP7.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.84
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetate
CID 11186873
Methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate
CID 51349764
trans-methyl (1S,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 101400105
Methyl 6-butyl-12-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyldodeca-6,7-dienoate
CID 101546965
Ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate
CID 102243046

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate?
The IUPAC name of methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate (CID 164685085) is methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate.
What is the SMILES notation for methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate?
The canonical SMILES for methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate is CCC(=C=C[Si](C)(C)C)CC[C@](C)(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC.
What is the InChIKey of methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate?
The InChIKey is UMKRATWWQIWRSN-FFMAFDDDSA-N. The full InChI is InChI=1S/C25H50O3Si2/c1-13-23(15-19-29(10,11)12)14-16-25(8,24(26)27-9)17-18-28-30(20(2)3,21(4)5)22(6)7/h19-22H,13-14,16-18H2,1-12H3/t15?,25-/m1/s1.
What are the key properties of methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate?
methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate has a molecular weight of 454.84 g/mol, XLogP of 7.90, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate is sourced from PubChem (CID 164685085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).