methyl 3-cyclohexyl-3-hydroxypropanoate

C10H18O3 — CID 10877839

IUPACmethyl 3-cyclohexyl-3-hydroxypropanoate
SMILESCOC(=O)CC(O)C1CCCCC1
InChIInChI=1S/C10H18O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3
InChIKeyPAKFURKPPSCHAX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds3

About methyl 3-cyclohexyl-3-hydroxypropanoate

methyl 3-cyclohexyl-3-hydroxypropanoate (PubChem CID 10877839) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 3-cyclohexyl-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-3-hydroxypropanoate
PubChem CID10877839
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl 3-cyclohexyl-3-hydroxypropanoate
SMILESCOC(=O)CC(O)C1CCCCC1
InChIInChI=1S/C10H18O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3
InChIKeyPAKFURKPPSCHAX-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-3-hydroxypropanoate?
The IUPAC name of methyl 3-cyclohexyl-3-hydroxypropanoate (CID 10877839) is methyl 3-cyclohexyl-3-hydroxypropanoate.
What is the SMILES notation for methyl 3-cyclohexyl-3-hydroxypropanoate?
The canonical SMILES for methyl 3-cyclohexyl-3-hydroxypropanoate is COC(=O)CC(O)C1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyl-3-hydroxypropanoate?
The InChIKey is PAKFURKPPSCHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3.
What are the key properties of methyl 3-cyclohexyl-3-hydroxypropanoate?
methyl 3-cyclohexyl-3-hydroxypropanoate has a molecular weight of 186.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-3-hydroxypropanoate is sourced from PubChem (CID 10877839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).