2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid

C18H34O5Si2 — CID 67764331

IUPAC2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid
SMILESC[Si](C)(C)O[Si](C)(C)CCCC(C(=O)O)=C(C(=O)O)C1CCCCC1
InChIInChI=1S/C18H34O5Si2/c1-24(2,3)23-25(4,5)13-9-12-15(17(19)20)16(18(21)22)14-10-7-6-8-11-14/h14H,6-13H2,1-5H3,(H,19,20)(H,21,22)
InChIKeyHNEJHEDDEUSNGN-UHFFFAOYSA-N
MW386.64 g/mol
LogP4.87
Rot. Bonds9

About 2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid

2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid (PubChem CID 67764331) has the molecular formula C18H34O5Si2 and a molecular weight of 386.64 g/mol. Its IUPAC name is 2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid.

Molecular Properties

Compound Name2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid
PubChem CID67764331
Molecular FormulaC18H34O5Si2
Molecular Weight386.64 g/mol
Exact Mass386.19
IUPAC Name2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid
SMILESC[Si](C)(C)O[Si](C)(C)CCCC(C(=O)O)=C(C(=O)O)C1CCCCC1
InChIInChI=1S/C18H34O5Si2/c1-24(2,3)23-25(4,5)13-9-12-15(17(19)20)16(18(21)22)14-10-7-6-8-11-14/h14H,6-13H2,1-5H3,(H,19,20)(H,21,22)
InChIKeyHNEJHEDDEUSNGN-UHFFFAOYSA-N
XLogP4.87
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.64
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-3-pentylbut-2-enedioic acid
CID 123802855
2,3-bis[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioic acid
CID 54305783
2-benzyl-3-cyclohexylbut-2-enedioic acid
CID 54041835
2,3,3-tri(cyclodecyl)prop-2-enoic acid
CID 19602211
CID 66648635
CID 66648635
(E)-2,3-dicyclohexyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
CID 67912160
(Z)-3-cyclohexyl-2-ethylbut-2-enoic acid
CID 165441204
CID 66648501
CID 66648501
methyl 4-cyclooctyl-4-oxobutanoate
CID 155214467
methyl 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565
1-cycloheptylpentan-1-one
CID 65399298
(E)-2-(2-cyclohexyl-2-oxoethyl)-3-(2-ethoxyethyl)but-2-enedioic acid
CID 22289259

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid?
The IUPAC name of 2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid (CID 67764331) is 2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid.
What is the SMILES notation for 2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid?
The canonical SMILES for 2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid is C[Si](C)(C)O[Si](C)(C)CCCC(C(=O)O)=C(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid?
The InChIKey is HNEJHEDDEUSNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5Si2/c1-24(2,3)23-25(4,5)13-9-12-15(17(19)20)16(18(21)22)14-10-7-6-8-11-14/h14H,6-13H2,1-5H3,(H,19,20)(H,21,22).
What are the key properties of 2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid?
2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid has a molecular weight of 386.64 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]but-2-enedioic acid is sourced from PubChem (CID 67764331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).