2-cyclohexyl-2-dipropylsilylbutanoic acid

C16H32O2Si — CID 152592863

IUPAC2-cyclohexyl-2-dipropylsilylbutanoic acid
SMILESCCC[SiH](CCC)C(CC)(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H32O2Si/c1-4-12-19(13-5-2)16(6-3,15(17)18)14-10-8-7-9-11-14/h14,19H,4-13H2,1-3H3,(H,17,18)
InChIKeyYVVOSKASFSWSIK-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.85
Rot. Bonds8

About 2-cyclohexyl-2-dipropylsilylbutanoic acid

2-cyclohexyl-2-dipropylsilylbutanoic acid (PubChem CID 152592863) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 2-cyclohexyl-2-dipropylsilylbutanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-dipropylsilylbutanoic acid
PubChem CID152592863
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name2-cyclohexyl-2-dipropylsilylbutanoic acid
SMILESCCC[SiH](CCC)C(CC)(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H32O2Si/c1-4-12-19(13-5-2)16(6-3,15(17)18)14-10-8-7-9-11-14/h14,19H,4-13H2,1-3H3,(H,17,18)
InChIKeyYVVOSKASFSWSIK-UHFFFAOYSA-N
XLogP4.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.85
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-diethylsilylbutanoic acid
CID 150655220
2-cyclopentyl-2-dimethylsilylhexanoic acid
CID 151529268
magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride
CID 174968712
2-cyclohexyl-2-sulfanylbutanoic acid
CID 174351783
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
2-cyclohexyl-2-methoxycarbothioylbutanoic acid
CID 174349649
2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid
CID 70926166
2-cyclohexyl-2-ethyl-3-propylidenebutanedioic acid
CID 70869340
2-cyclobutyl-2-hydroxypentanoic acid
CID 83051264
(2S)-2-amino-2-cyclohexylbutanamide
CID 67737232
2-amino-2-cyclohexyl-2-fluoroacetic acid
CID 176668442
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-dipropylsilylbutanoic acid?
The IUPAC name of 2-cyclohexyl-2-dipropylsilylbutanoic acid (CID 152592863) is 2-cyclohexyl-2-dipropylsilylbutanoic acid.
What is the SMILES notation for 2-cyclohexyl-2-dipropylsilylbutanoic acid?
The canonical SMILES for 2-cyclohexyl-2-dipropylsilylbutanoic acid is CCC[SiH](CCC)C(CC)(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-dipropylsilylbutanoic acid?
The InChIKey is YVVOSKASFSWSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-4-12-19(13-5-2)16(6-3,15(17)18)14-10-8-7-9-11-14/h14,19H,4-13H2,1-3H3,(H,17,18).
What are the key properties of 2-cyclohexyl-2-dipropylsilylbutanoic acid?
2-cyclohexyl-2-dipropylsilylbutanoic acid has a molecular weight of 284.52 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-dipropylsilylbutanoic acid is sourced from PubChem (CID 152592863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).