2-cyclopentyl-2-dimethylsilylhexanoic acid

C13H26O2Si — CID 151529268

IUPAC2-cyclopentyl-2-dimethylsilylhexanoic acid
SMILESCCCCC(C(=O)O)(C1CCCC1)[SiH](C)C
InChIInChI=1S/C13H26O2Si/c1-4-5-10-13(12(14)15,16(2)3)11-8-6-7-9-11/h11,16H,4-10H2,1-3H3,(H,14,15)
InChIKeyPWDALAHVDCOPFO-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.68
Rot. Bonds6

About 2-cyclopentyl-2-dimethylsilylhexanoic acid

2-cyclopentyl-2-dimethylsilylhexanoic acid (PubChem CID 151529268) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-cyclopentyl-2-dimethylsilylhexanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-dimethylsilylhexanoic acid
PubChem CID151529268
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-cyclopentyl-2-dimethylsilylhexanoic acid
SMILESCCCCC(C(=O)O)(C1CCCC1)[SiH](C)C
InChIInChI=1S/C13H26O2Si/c1-4-5-10-13(12(14)15,16(2)3)11-8-6-7-9-11/h11,16H,4-10H2,1-3H3,(H,14,15)
InChIKeyPWDALAHVDCOPFO-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-2-dipropylsilylbutanoic acid
CID 152592863
2-cyclohexyl-2-diethylsilylbutanoic acid
CID 150655220
2-cyclopentyl-2-methyldecanoic acid
CID 175087816
2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid
CID 70926166
2-cyclopentyl-2-(4-methylphenyl)hexanoic acid
CID 123343946
2-butyl-2-cyclohexyl-3-pentylidenebutanedioic acid
CID 70925921
2-cyclohexyl-2-hexylhexanedioic acid
CID 66598737
2-cyclohexyl-2-hydroxyhexanal
CID 174819252
2-cyclobutyl-2-hydroxypentanoic acid
CID 83051264
2-(cyclobutylmethyl)-2-ethylhexanoic acid
CID 79425365
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
2-cyclopentyl-2-ethyl-3-pentylidenebutanedioic acid
CID 70869487

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-dimethylsilylhexanoic acid?
The IUPAC name of 2-cyclopentyl-2-dimethylsilylhexanoic acid (CID 151529268) is 2-cyclopentyl-2-dimethylsilylhexanoic acid.
What is the SMILES notation for 2-cyclopentyl-2-dimethylsilylhexanoic acid?
The canonical SMILES for 2-cyclopentyl-2-dimethylsilylhexanoic acid is CCCCC(C(=O)O)(C1CCCC1)[SiH](C)C.
What is the InChIKey of 2-cyclopentyl-2-dimethylsilylhexanoic acid?
The InChIKey is PWDALAHVDCOPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-4-5-10-13(12(14)15,16(2)3)11-8-6-7-9-11/h11,16H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 2-cyclopentyl-2-dimethylsilylhexanoic acid?
2-cyclopentyl-2-dimethylsilylhexanoic acid has a molecular weight of 242.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-dimethylsilylhexanoic acid is sourced from PubChem (CID 151529268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).