2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid

C17H32O5Si — CID 91452436

IUPAC2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CC(CC(=O)O)C(=O)O)CC1
InChIInChI=1S/C17H32O5Si/c1-17(2,3)23(4,5)22-14-8-6-12(7-9-14)10-13(16(20)21)11-15(18)19/h12-14H,6-11H2,1-5H3,(H,18,19)(H,20,21)
InChIKeyNXRKQZCEAJFQNE-UHFFFAOYSA-N
MW344.52 g/mol
LogP4.13
Rot. Bonds7

About 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid

2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid (PubChem CID 91452436) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid.

Molecular Properties

Compound Name2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid
PubChem CID91452436
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Name2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(CC(CC(=O)O)C(=O)O)CC1
InChIInChI=1S/C17H32O5Si/c1-17(2,3)23(4,5)22-14-8-6-12(7-9-14)10-13(16(20)21)11-15(18)19/h12-14H,6-11H2,1-5H3,(H,18,19)(H,20,21)
InChIKeyNXRKQZCEAJFQNE-UHFFFAOYSA-N
XLogP4.13
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[1-[2-Fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid
CID 70075414
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycarbonyl-2-methylnonanoic acid
CID 15605725
3-[4-[2-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid
CID 21266261
2-[4-(Triisopropylsilyloxymethyl)cyclohexyl]acetic acid
CID 22184655
Methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate
CID 23549535
10-[Tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid
CID 57266548
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]octanoic acid
CID 59211749
3-(trans-4-t-Butyldimethylsilyloxycyclohexyl)-2-hydroxy-2-isopropylsuccinic acid
CID 66648737
3-[[4-[Tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]-4-methoxy-4-oxobutanoic acid
CID 66702069
Methyl 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]-4-hydroxybutanoate
CID 66702099
cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid
CID 69242287
cis-(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid
CID 69242288

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid?
The IUPAC name of 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid (CID 91452436) is 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid.
What is the SMILES notation for 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid?
The canonical SMILES for 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid is CC(C)(C)[Si](C)(C)OC1CCC(CC(CC(=O)O)C(=O)O)CC1.
What is the InChIKey of 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid?
The InChIKey is NXRKQZCEAJFQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-17(2,3)23(4,5)22-14-8-6-12(7-9-14)10-13(16(20)21)11-15(18)19/h12-14H,6-11H2,1-5H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid?
2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid has a molecular weight of 344.52 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid is sourced from PubChem (CID 91452436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).