2-(3-hydroxycyclohexyl)-2-methylpropanoic acid

C10H18O3 — CID 77163399

IUPAC2-(3-hydroxycyclohexyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCC(O)C1
InChIInChI=1S/C10H18O3/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyNTGIGRSFJVRYLQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds2

About 2-(3-hydroxycyclohexyl)-2-methylpropanoic acid

2-(3-hydroxycyclohexyl)-2-methylpropanoic acid (PubChem CID 77163399) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3-hydroxycyclohexyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-hydroxycyclohexyl)-2-methylpropanoic acid
PubChem CID77163399
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(3-hydroxycyclohexyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCC(O)C1
InChIInChI=1S/C10H18O3/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyNTGIGRSFJVRYLQ-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxycyclohexyl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-hydroxycyclohexyl)-2-methylpropanoic acid (CID 77163399) is 2-(3-hydroxycyclohexyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-hydroxycyclohexyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-hydroxycyclohexyl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxycyclohexyl)-2-methylpropanoic acid?
The InChIKey is NTGIGRSFJVRYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-hydroxycyclohexyl)-2-methylpropanoic acid?
2-(3-hydroxycyclohexyl)-2-methylpropanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxycyclohexyl)-2-methylpropanoic acid is sourced from PubChem (CID 77163399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).