2-(2-hydroxycyclohexyl)prop-2-enoic acid

C9H14O3 — CID 12930299

IUPAC2-(2-hydroxycyclohexyl)prop-2-enoic acid
SMILESC=C(C(=O)O)C1CCCCC1O
InChIInChI=1S/C9H14O3/c1-6(9(11)12)7-4-2-3-5-8(7)10/h7-8,10H,1-5H2,(H,11,12)
InChIKeyQERFPBFJNGONNF-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.18
Rot. Bonds2

About 2-(2-hydroxycyclohexyl)prop-2-enoic acid

2-(2-hydroxycyclohexyl)prop-2-enoic acid (PubChem CID 12930299) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)prop-2-enoic acid
PubChem CID12930299
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(2-hydroxycyclohexyl)prop-2-enoic acid
SMILESC=C(C(=O)O)C1CCCCC1O
InChIInChI=1S/C9H14O3/c1-6(9(11)12)7-4-2-3-5-8(7)10/h7-8,10H,1-5H2,(H,11,12)
InChIKeyQERFPBFJNGONNF-UHFFFAOYSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)prop-2-enoic acid?
The IUPAC name of 2-(2-hydroxycyclohexyl)prop-2-enoic acid (CID 12930299) is 2-(2-hydroxycyclohexyl)prop-2-enoic acid.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)prop-2-enoic acid?
The canonical SMILES for 2-(2-hydroxycyclohexyl)prop-2-enoic acid is C=C(C(=O)O)C1CCCCC1O.
What is the InChIKey of 2-(2-hydroxycyclohexyl)prop-2-enoic acid?
The InChIKey is QERFPBFJNGONNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(9(11)12)7-4-2-3-5-8(7)10/h7-8,10H,1-5H2,(H,11,12).
What are the key properties of 2-(2-hydroxycyclohexyl)prop-2-enoic acid?
2-(2-hydroxycyclohexyl)prop-2-enoic acid has a molecular weight of 170.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)prop-2-enoic acid is sourced from PubChem (CID 12930299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).