butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane

C16H36O8Si2 — CID 159522456

IUPACbutanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane
SMILESCO[SiH](C)OC.CO[SiH](CC1CCCCC1)OC.O=C(O)CCC(=O)O
InChIInChI=1S/C9H20O2Si.C4H6O4.C3H10O2Si/c1-10-12(11-2)8-9-6-4-3-5-7-9;5-3(6)1-2-4(7)8;1-4-6(3)5-2/h9,12H,3-8H2,1-2H3;1-2H2,(H,5,6)(H,7,8);6H,1-3H3
InChIKeyMBYZXCRAGUYHHI-UHFFFAOYSA-N
MW412.63 g/mol
LogP2.15
Rot. Bonds9

About butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane

butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane (PubChem CID 159522456) has the molecular formula C16H36O8Si2 and a molecular weight of 412.63 g/mol. Its IUPAC name is butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane.

Molecular Properties

Compound Namebutanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane
PubChem CID159522456
Molecular FormulaC16H36O8Si2
Molecular Weight412.63 g/mol
Exact Mass412.19
IUPAC Namebutanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane
SMILESCO[SiH](C)OC.CO[SiH](CC1CCCCC1)OC.O=C(O)CCC(=O)O
InChIInChI=1S/C9H20O2Si.C4H6O4.C3H10O2Si/c1-10-12(11-2)8-9-6-4-3-5-7-9;5-3(6)1-2-4(7)8;1-4-6(3)5-2/h9,12H,3-8H2,1-2H3;1-2H2,(H,5,6)(H,7,8);6H,1-3H3
InChIKeyMBYZXCRAGUYHHI-UHFFFAOYSA-N
XLogP2.15
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.63
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cyclopentylmethyl(dimethoxy)silane
CID 123715305
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
butanedioic acid;cyclobutane
CID 157277656
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
cyclohexylmethyl(dicyclopentyloxy)silane
CID 123730802
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
19-cyclohexylnonadecanoic acid
CID 71352938
7-cyclohexylheptanoic acid
CID 71560336

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane?
The IUPAC name of butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane (CID 159522456) is butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane.
What is the SMILES notation for butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane?
The canonical SMILES for butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane is CO[SiH](C)OC.CO[SiH](CC1CCCCC1)OC.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane?
The InChIKey is MBYZXCRAGUYHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si.C4H6O4.C3H10O2Si/c1-10-12(11-2)8-9-6-4-3-5-7-9;5-3(6)1-2-4(7)8;1-4-6(3)5-2/h9,12H,3-8H2,1-2H3;1-2H2,(H,5,6)(H,7,8);6H,1-3H3.
What are the key properties of butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane?
butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane has a molecular weight of 412.63 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;cyclohexylmethyl(dimethoxy)silane;dimethoxy(methyl)silane is sourced from PubChem (CID 159522456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).