(2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid

C17H26O3Si — CID 125466602

IUPAC(2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid
SMILESC[Si](C)(C)c1ccc([C@H](C(=O)O)C2(O)CCCCC2)cc1
InChIInChI=1S/C17H26O3Si/c1-21(2,3)14-9-7-13(8-10-14)15(16(18)19)17(20)11-5-4-6-12-17/h7-10,15,20H,4-6,11-12H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyFUHKDILAAAHYAA-OAHLLOKOSA-N
MW306.48 g/mol
LogP3.10
Rot. Bonds4

About (2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid

(2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid (PubChem CID 125466602) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is (2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid
PubChem CID125466602
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name(2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid
SMILESC[Si](C)(C)c1ccc([C@H](C(=O)O)C2(O)CCCCC2)cc1
InChIInChI=1S/C17H26O3Si/c1-21(2,3)14-9-7-13(8-10-14)15(16(18)19)17(20)11-5-4-6-12-17/h7-10,15,20H,4-6,11-12H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyFUHKDILAAAHYAA-OAHLLOKOSA-N
XLogP3.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid?
The IUPAC name of (2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid (CID 125466602) is (2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid?
The canonical SMILES for (2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid is C[Si](C)(C)c1ccc([C@H](C(=O)O)C2(O)CCCCC2)cc1.
What is the InChIKey of (2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid?
The InChIKey is FUHKDILAAAHYAA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-21(2,3)14-9-7-13(8-10-14)15(16(18)19)17(20)11-5-4-6-12-17/h7-10,15,20H,4-6,11-12H2,1-3H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid?
(2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid has a molecular weight of 306.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid is sourced from PubChem (CID 125466602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).