3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid

C19H36O6Si — CID 173004431

IUPAC3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid
SMILESCC(C)C(O)(C(=O)O)C(C(=O)O)C1(O[SiH](C)C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H36O6Si/c1-12(2)19(24,16(22)23)14(15(20)21)18(25-26(6)7)10-8-13(9-11-18)17(3,4)5/h12-14,24,26H,8-11H2,1-7H3,(H,20,21)(H,22,23)
InChIKeyWPYWZWATXDJONE-UHFFFAOYSA-N
MW388.58 g/mol
LogP3.13
Rot. Bonds7

About 3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid

3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid (PubChem CID 173004431) has the molecular formula C19H36O6Si and a molecular weight of 388.58 g/mol. Its IUPAC name is 3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid.

Molecular Properties

Compound Name3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid
PubChem CID173004431
Molecular FormulaC19H36O6Si
Molecular Weight388.58 g/mol
Exact Mass388.23
IUPAC Name3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid
SMILESCC(C)C(O)(C(=O)O)C(C(=O)O)C1(O[SiH](C)C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H36O6Si/c1-12(2)19(24,16(22)23)14(15(20)21)18(25-26(6)7)10-8-13(9-11-18)17(3,4)5/h12-14,24,26H,8-11H2,1-7H3,(H,20,21)(H,22,23)
InChIKeyWPYWZWATXDJONE-UHFFFAOYSA-N
XLogP3.13
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-methylprop-2-enal
CID 173318584
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetic acid
CID 79123755
2-(4-tert-butyl-1-cyanocyclohexyl)-2-hydroxyacetic acid
CID 79128430
4-tert-butyl-1-[(4-tert-butylcyclohexyl)-carboxymethyl]cyclohexane-1-carboxylic acid
CID 57101491
tert-butyl 1-amino-4-tert-butylcyclohexane-1-carboxylate
CID 125425759
4-tert-butyl-1-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxylic acid
CID 79425798
(2R,3R)-2,3-bis[(4-tert-butylcyclohexyl)oxy]butanedioic acid
CID 70926789
bis(4-tert-butyl-1-methylcyclohexyl) carbonate
CID 135314493
methyl 4-tert-butyl-1-(hydroxymethyl)cyclohexane-1-carboxylate
CID 118380454
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-methylbutan-2-ol
CID 79128025
(4-tert-butyl-1-ethylcyclohexyl) hydrogen carbonate
CID 135314707
4-tert-butyl-1-(methoxymethyl)cyclohexane-1-carboxylic acid
CID 103975916

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid?
The IUPAC name of 3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid (CID 173004431) is 3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid.
What is the SMILES notation for 3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid?
The canonical SMILES for 3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid is CC(C)C(O)(C(=O)O)C(C(=O)O)C1(O[SiH](C)C)CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid?
The InChIKey is WPYWZWATXDJONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O6Si/c1-12(2)19(24,16(22)23)14(15(20)21)18(25-26(6)7)10-8-13(9-11-18)17(3,4)5/h12-14,24,26H,8-11H2,1-7H3,(H,20,21)(H,22,23).
What are the key properties of 3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid?
3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid has a molecular weight of 388.58 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1-dimethylsilyloxycyclohexyl)-2-hydroxy-2-propan-2-ylbutanedioic acid is sourced from PubChem (CID 173004431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).