methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate

C10H16O3 — CID 124708327

IUPACmethyl (2R)-3-cyclohexylidene-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)C=C1CCCCC1
InChIInChI=1S/C10H16O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h7,9,11H,2-6H2,1H3/t9-/m1/s1
InChIKeyRQDIKTPEOHXLAB-SECBINFHSA-N
MW184.24 g/mol
LogP1.41
Rot. Bonds2

About methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate

methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate (PubChem CID 124708327) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-cyclohexylidene-2-hydroxypropanoate
PubChem CID124708327
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Namemethyl (2R)-3-cyclohexylidene-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)C=C1CCCCC1
InChIInChI=1S/C10H16O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h7,9,11H,2-6H2,1H3/t9-/m1/s1
InChIKeyRQDIKTPEOHXLAB-SECBINFHSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.41
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 methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate (CID 124708327) is methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate is COC(=O)[C@H](O)C=C1CCCCC1.
What is the InChIKey of methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate?
The InChIKey is RQDIKTPEOHXLAB-SECBINFHSA-N. The full InChI is InChI=1S/C10H16O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h7,9,11H,2-6H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate?
methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate has a molecular weight of 184.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-cyclohexylidene-2-hydroxypropanoate is sourced from PubChem (CID 124708327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).