[[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate

C12H24N6O7Si3 — CID 123715979

IUPAC[[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate
SMILES[H]/N=C\O[SiH](O/C=N/[H])C(CCCOC=C)([SiH](O/C=N/[H])O/C=N/[H])[SiH](O/C=N/[H])O/C=N/[H]
InChIInChI=1S/C12H24N6O7Si3/c1-2-19-5-3-4-12(26(20-6-13)21-7-14,27(22-8-15)23-9-16)28(24-10-17)25-11-18/h2,6-11,13-18,26-28H,1,3-5H2/b13-6-,14-7+,15-8+,16-9+,17-10+,18-11+
InChIKeyXGTNRFHUGBSTCH-LJJIMTOHSA-N
MW448.62 g/mol
LogP0.15
Rot. Bonds20

About [[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate

[[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate (PubChem CID 123715979) has the molecular formula C12H24N6O7Si3 and a molecular weight of 448.62 g/mol. Its IUPAC name is [[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate.

Molecular Properties

Compound Name[[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate
PubChem CID123715979
Molecular FormulaC12H24N6O7Si3
Molecular Weight448.62 g/mol
Exact Mass448.10
IUPAC Name[[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate
SMILES[H]/N=C\O[SiH](O/C=N/[H])C(CCCOC=C)([SiH](O/C=N/[H])O/C=N/[H])[SiH](O/C=N/[H])O/C=N/[H]
InChIInChI=1S/C12H24N6O7Si3/c1-2-19-5-3-4-12(26(20-6-13)21-7-14,27(22-8-15)23-9-16)28(24-10-17)25-11-18/h2,6-11,13-18,26-28H,1,3-5H2/b13-6-,14-7+,15-8+,16-9+,17-10+,18-11+
InChIKeyXGTNRFHUGBSTCH-LJJIMTOHSA-N
XLogP0.15
TPSA207.71 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500448.62
LogP ≤ 50.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(2-dimethanimidoyloxysilyl-1-ethenoxypropan-2-yl)-methanimidoyloxysilyl] methanimidate
CID 123619100
1-ethenoxy-4,4-dimethylpentane
CID 58671996
1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
14-ethenoxytetradecan-1-ol
CID 139931182
5-ethenoxy-2,2-dimethylpentanoic acid
CID 23167562
1,4-bis(ethenoxy)butane;butane
CID 158192522
1-ethenoxy-3-methoxypropane
CID 22058891
CID 100944423
CID 100944423
3-methanimidoyloxypropyl formate
CID 177168865
1-ethenoxybutane;hydrate
CID 174447139
1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane
CID 18539658

Frequently Asked Questions

What is the IUPAC name of [[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate?
The IUPAC name of [[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate (CID 123715979) is [[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate.
What is the SMILES notation for [[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate?
The canonical SMILES for [[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate is [H]/N=C\O[SiH](O/C=N/[H])C(CCCOC=C)([SiH](O/C=N/[H])O/C=N/[H])[SiH](O/C=N/[H])O/C=N/[H].
What is the InChIKey of [[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate?
The InChIKey is XGTNRFHUGBSTCH-LJJIMTOHSA-N. The full InChI is InChI=1S/C12H24N6O7Si3/c1-2-19-5-3-4-12(26(20-6-13)21-7-14,27(22-8-15)23-9-16)28(24-10-17)25-11-18/h2,6-11,13-18,26-28H,1,3-5H2/b13-6-,14-7+,15-8+,16-9+,17-10+,18-11+.
What are the key properties of [[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate?
[[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate has a molecular weight of 448.62 g/mol, XLogP of 0.15, 20 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [[1,1-bis(dimethanimidoyloxysilyl)-4-ethenoxybutyl]-methanimidoyloxysilyl] methanimidate is sourced from PubChem (CID 123715979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).