2,2,2-tricyclohexylacetic acid

C20H34O2 — CID 22107302

IUPAC2,2,2-tricyclohexylacetic acid
SMILESO=C(O)C(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H34O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2,(H,21,22)
InChIKeyYZDDBQMTCGOWAE-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.80
Rot. Bonds4

About 2,2,2-tricyclohexylacetic acid

2,2,2-tricyclohexylacetic acid (PubChem CID 22107302) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2,2,2-tricyclohexylacetic acid.

Molecular Properties

Compound Name2,2,2-tricyclohexylacetic acid
PubChem CID22107302
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2,2,2-tricyclohexylacetic acid
SMILESO=C(O)C(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H34O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2,(H,21,22)
InChIKeyYZDDBQMTCGOWAE-UHFFFAOYSA-N
XLogP5.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-tricyclohexylacetic acid?
The IUPAC name of 2,2,2-tricyclohexylacetic acid (CID 22107302) is 2,2,2-tricyclohexylacetic acid.
What is the SMILES notation for 2,2,2-tricyclohexylacetic acid?
The canonical SMILES for 2,2,2-tricyclohexylacetic acid is O=C(O)C(C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2,2-tricyclohexylacetic acid?
The InChIKey is YZDDBQMTCGOWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2,(H,21,22).
What are the key properties of 2,2,2-tricyclohexylacetic acid?
2,2,2-tricyclohexylacetic acid has a molecular weight of 306.49 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tricyclohexylacetic acid is sourced from PubChem (CID 22107302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).