2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate

C19H40O6Si2 — CID 174230120

IUPAC2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate
SMILESCC=CC(=O)OCCOCCCOCCCC(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H40O6Si2/c1-8-11-18(20)23-17-16-22-15-10-14-21-13-9-12-19(24-26(2,3)4)25-27(5,6)7/h8,11,19H,9-10,12-17H2,1-7H3
InChIKeyHFBZWUVLUGVPOW-UHFFFAOYSA-N
MW420.70 g/mol
LogP4.34
Rot. Bonds16

About 2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate

2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate (PubChem CID 174230120) has the molecular formula C19H40O6Si2 and a molecular weight of 420.70 g/mol. Its IUPAC name is 2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate.

Molecular Properties

Compound Name2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate
PubChem CID174230120
Molecular FormulaC19H40O6Si2
Molecular Weight420.70 g/mol
Exact Mass420.24
IUPAC Name2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate
SMILESCC=CC(=O)OCCOCCCOCCCC(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H40O6Si2/c1-8-11-18(20)23-17-16-22-15-10-14-21-13-9-12-19(24-26(2,3)4)25-27(5,6)7/h8,11,19H,9-10,12-17H2,1-7H3
InChIKeyHFBZWUVLUGVPOW-UHFFFAOYSA-N
XLogP4.34
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.70
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate?
The IUPAC name of 2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate (CID 174230120) is 2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate.
What is the SMILES notation for 2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate?
The canonical SMILES for 2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate is CC=CC(=O)OCCOCCCOCCCC(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate?
The InChIKey is HFBZWUVLUGVPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O6Si2/c1-8-11-18(20)23-17-16-22-15-10-14-21-13-9-12-19(24-26(2,3)4)25-27(5,6)7/h8,11,19H,9-10,12-17H2,1-7H3.
What are the key properties of 2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate?
2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate has a molecular weight of 420.70 g/mol, XLogP of 4.34, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4,4-bis(trimethylsilyloxy)butoxy]propoxy]ethyl but-2-enoate is sourced from PubChem (CID 174230120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).