cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid

C14H28O3Si — CID 134988135

IUPACcis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-10-11-8-6-7-9-12(11)13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyGKIXLVBIDOCMFS-NWDGAFQWSA-N
MW272.46 g/mol
LogP3.90
Rot. Bonds4

About cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid

cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid (PubChem CID 134988135) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid
PubChem CID134988135
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Namecis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-10-11-8-6-7-9-12(11)13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyGKIXLVBIDOCMFS-NWDGAFQWSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl trans-2-hydroxymethylcyclohexane-1-carboxylate
CID 53471039
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid
CID 175965329
Methyl 2-(hydroxymethyl)cyclohexanecarboxylate
CID 14127585
Trimethylsilyl 2-{[(trimethylsilyl)oxy]methyl}cyclohexanecarboxylate
CID 91696633
Methyl (1S,2S)-2-(hydroxymethyl)cyclohexanecarboxylate
CID 14127586
2-(4-Trimethylsilylcyclohexyl)acetic acid
CID 22157753
4-Trimethylsilylcyclohexane-1-carboxylic acid
CID 22157757
3-(4-Trimethylsilylcyclohexyl)propanoic acid
CID 22157759
2-[4-(Triisopropylsilyloxymethyl)cyclohexyl]acetic acid
CID 22184655
2-(Ethylperoxymethyl)cyclohexane-1-carboxylic acid
CID 57957056
4-[Dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid
CID 58861662
4-[Dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid
CID 59221242

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid (CID 134988135) is cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid is CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid?
The InChIKey is GKIXLVBIDOCMFS-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-10-11-8-6-7-9-12(11)13(15)16/h11-12H,6-10H2,1-5H3,(H,15,16)/t11-,12+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid?
cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid has a molecular weight of 272.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 134988135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).