ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate

C32H62O12Si2 — CID 22954469

IUPACethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate
SMILESCCOC(=O)C(CCC(CC(C)OC(=O)CCCC[Si](C)(OC)OC)OC(=O)CC)CC(C)OC(=O)CCCC[Si](C)(OC)OC
InChIInChI=1S/C32H62O12Si2/c1-11-29(33)44-28(24-26(4)43-31(35)18-14-16-22-46(10,39-7)40-8)20-19-27(32(36)41-12-2)23-25(3)42-30(34)17-13-15-21-45(9,37-5)38-6/h25-28H,11-24H2,1-10H3
InChIKeySIZKTEZUSAFKDY-UHFFFAOYSA-N
MW695.01 g/mol
LogP5.98
Rot. Bonds27

About ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate

ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate (PubChem CID 22954469) has the molecular formula C32H62O12Si2 and a molecular weight of 695.01 g/mol. Its IUPAC name is ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate.

Molecular Properties

Compound Nameethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate
PubChem CID22954469
Molecular FormulaC32H62O12Si2
Molecular Weight695.01 g/mol
Exact Mass694.38
IUPAC Nameethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate
SMILESCCOC(=O)C(CCC(CC(C)OC(=O)CCCC[Si](C)(OC)OC)OC(=O)CC)CC(C)OC(=O)CCCC[Si](C)(OC)OC
InChIInChI=1S/C32H62O12Si2/c1-11-29(33)44-28(24-26(4)43-31(35)18-14-16-22-46(10,39-7)40-8)20-19-27(32(36)41-12-2)23-25(3)42-30(34)17-13-15-21-45(9,37-5)38-6/h25-28H,11-24H2,1-10H3
InChIKeySIZKTEZUSAFKDY-UHFFFAOYSA-N
XLogP5.98
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500695.01
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate?
The IUPAC name of ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate (CID 22954469) is ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate.
What is the SMILES notation for ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate?
The canonical SMILES for ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate is CCOC(=O)C(CCC(CC(C)OC(=O)CCCC[Si](C)(OC)OC)OC(=O)CC)CC(C)OC(=O)CCCC[Si](C)(OC)OC.
What is the InChIKey of ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate?
The InChIKey is SIZKTEZUSAFKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O12Si2/c1-11-29(33)44-28(24-26(4)43-31(35)18-14-16-22-46(10,39-7)40-8)20-19-27(32(36)41-12-2)23-25(3)42-30(34)17-13-15-21-45(9,37-5)38-6/h25-28H,11-24H2,1-10H3.
What are the key properties of ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate?
ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate has a molecular weight of 695.01 g/mol, XLogP of 5.98, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[5-[dimethoxy(methyl)silyl]pentanoyloxy]-2-[2-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl]-5-propanoyloxyoctanoate is sourced from PubChem (CID 22954469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).