4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid

C14H28O2Si — CID 59221242

IUPAC4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid
SMILESCCCCC[Si](C)(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H28O2Si/c1-4-5-6-11-17(2,3)13-9-7-12(8-10-13)14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKeyYQEJRKADTSVKCF-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.53
Rot. Bonds6

About 4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid

4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid (PubChem CID 59221242) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid
PubChem CID59221242
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid
SMILESCCCCC[Si](C)(C)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H28O2Si/c1-4-5-6-11-17(2,3)13-9-7-12(8-10-13)14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKeyYQEJRKADTSVKCF-UHFFFAOYSA-N
XLogP4.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid (CID 59221242) is 4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid is CCCCC[Si](C)(C)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid?
The InChIKey is YQEJRKADTSVKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-4-5-6-11-17(2,3)13-9-7-12(8-10-13)14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16).
What are the key properties of 4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid?
4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid has a molecular weight of 256.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(pentyl)silyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 59221242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).