[5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate

C15H29NO3Si — CID 163721445

IUPAC[5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(CC[Si](C)(C)NC)CCC1O
InChIInChI=1S/C15H29NO3Si/c1-11(2)15(18)19-14-10-12(6-7-13(14)17)8-9-20(4,5)16-3/h12-14,16-17H,1,6-10H2,2-5H3
InChIKeyKRYSJALHNMHKTK-UHFFFAOYSA-N
MW299.49 g/mol
LogP2.45
Rot. Bonds6

About [5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate

[5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate (PubChem CID 163721445) has the molecular formula C15H29NO3Si and a molecular weight of 299.49 g/mol. Its IUPAC name is [5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate
PubChem CID163721445
Molecular FormulaC15H29NO3Si
Molecular Weight299.49 g/mol
Exact Mass299.19
IUPAC Name[5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(CC[Si](C)(C)NC)CCC1O
InChIInChI=1S/C15H29NO3Si/c1-11(2)15(18)19-14-10-12(6-7-13(14)17)8-9-20(4,5)16-3/h12-14,16-17H,1,6-10H2,2-5H3
InChIKeyKRYSJALHNMHKTK-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate (CID 163721445) is [5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC(CC[Si](C)(C)NC)CCC1O.
What is the InChIKey of [5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate?
The InChIKey is KRYSJALHNMHKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3Si/c1-11(2)15(18)19-14-10-12(6-7-13(14)17)8-9-20(4,5)16-3/h12-14,16-17H,1,6-10H2,2-5H3.
What are the key properties of [5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate?
[5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate has a molecular weight of 299.49 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[dimethyl(methylamino)silyl]ethyl]-2-hydroxycyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 163721445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).