2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate

C10H15O3- — CID 46173255

IUPAC2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate
SMILESC=C(C)C1CCC(C(=O)[O-])C(O)C1
InChIInChI=1S/C10H16O3/c1-6(2)7-3-4-8(10(12)13)9(11)5-7/h7-9,11H,1,3-5H2,2H3,(H,12,13)/p-1
InChIKeyMYINPIFJBYJQKQ-UHFFFAOYSA-M
MW183.23 g/mol
LogP0.09
Rot. Bonds2

About 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate

2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate (PubChem CID 46173255) has the molecular formula C10H15O3- and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate
PubChem CID46173255
Molecular FormulaC10H15O3-
Molecular Weight183.23 g/mol
Exact Mass183.10
IUPAC Name2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate
SMILESC=C(C)C1CCC(C(=O)[O-])C(O)C1
InChIInChI=1S/C10H16O3/c1-6(2)7-3-4-8(10(12)13)9(11)5-7/h7-9,11H,1,3-5H2,2H3,(H,12,13)/p-1
InChIKeyMYINPIFJBYJQKQ-UHFFFAOYSA-M
XLogP0.09
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate?
The IUPAC name of 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate (CID 46173255) is 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate is C=C(C)C1CCC(C(=O)[O-])C(O)C1.
What is the InChIKey of 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate?
The InChIKey is MYINPIFJBYJQKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16O3/c1-6(2)7-3-4-8(10(12)13)9(11)5-7/h7-9,11H,1,3-5H2,2H3,(H,12,13)/p-1.
What are the key properties of 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate?
2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate has a molecular weight of 183.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-prop-1-en-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 46173255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).