2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate

C29H61NO8Si2 — CID 123244643

IUPAC2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCCC(C)(C)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCOCC(O)CN(CCO)CCO
InChIInChI=1S/C29H61NO8Si2/c1-25(2)27(34)37-21-20-35-18-11-13-28(3,4)40(9,10)38-29(5,6)39(7,8)22-12-19-36-24-26(33)23-30(14-16-31)15-17-32/h26,31-33H,1,11-24H2,2-10H3
InChIKeyRIPHMHNLVGOLBO-UHFFFAOYSA-N
MW607.98 g/mol
LogP3.98
Rot. Bonds24

About 2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate

2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate (PubChem CID 123244643) has the molecular formula C29H61NO8Si2 and a molecular weight of 607.98 g/mol. Its IUPAC name is 2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate
PubChem CID123244643
Molecular FormulaC29H61NO8Si2
Molecular Weight607.98 g/mol
Exact Mass607.39
IUPAC Name2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCCC(C)(C)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCOCC(O)CN(CCO)CCO
InChIInChI=1S/C29H61NO8Si2/c1-25(2)27(34)37-21-20-35-18-11-13-28(3,4)40(9,10)38-29(5,6)39(7,8)22-12-19-36-24-26(33)23-30(14-16-31)15-17-32/h26,31-33H,1,11-24H2,2-10H3
InChIKeyRIPHMHNLVGOLBO-UHFFFAOYSA-N
XLogP3.98
TPSA117.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.98
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[2-[3-[2-[[3-[[2-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]ethoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]ethoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 174013434
2-[tert-butyl-[(2S)-2-hydroxy-3-tetradecoxypropyl]amino]ethyl 2-methylprop-2-enoate
CID 99121364
2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate
CID 123218706
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
2-[3-[dimethyl(pentoxy)silyl]propoxy]ethyl 2-methylprop-2-enoate
CID 139816464
2-[2-(3-tributylsilylpropoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 140661842
[3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 23527263
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
3-[3-[dimethyl(propoxy)silyl]propoxy]propyl 2-methylprop-2-enoate
CID 139816501
2-(3-tributoxysilylpropoxy)ethyl 2-methylprop-2-enoate
CID 139816449
3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 20603675
3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 139645621

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate (CID 123244643) is 2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCCC(C)(C)[Si](C)(C)OC(C)(C)[Si](C)(C)CCCOCC(O)CN(CCO)CCO.
What is the InChIKey of 2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is RIPHMHNLVGOLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61NO8Si2/c1-25(2)27(34)37-21-20-35-18-11-13-28(3,4)40(9,10)38-29(5,6)39(7,8)22-12-19-36-24-26(33)23-30(14-16-31)15-17-32/h26,31-33H,1,11-24H2,2-10H3.
What are the key properties of 2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate?
2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 607.98 g/mol, XLogP of 3.98, 24 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]propyl-dimethylsilyl]propan-2-yloxy-dimethylsilyl]-4-methylpentoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 123244643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).