(3-hydroxycyclohexyl)methyl propanoate

C10H18O3 — CID 89020573

IUPAC(3-hydroxycyclohexyl)methyl propanoate
SMILESCCC(=O)OCC1CCCC(O)C1
InChIInChI=1S/C10H18O3/c1-2-10(12)13-7-8-4-3-5-9(11)6-8/h8-9,11H,2-7H2,1H3
InChIKeyKOWXIVGGCBYIQY-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds3

About (3-hydroxycyclohexyl)methyl propanoate

(3-hydroxycyclohexyl)methyl propanoate (PubChem CID 89020573) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3-hydroxycyclohexyl)methyl propanoate.

Molecular Properties

Compound Name(3-hydroxycyclohexyl)methyl propanoate
PubChem CID89020573
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3-hydroxycyclohexyl)methyl propanoate
SMILESCCC(=O)OCC1CCCC(O)C1
InChIInChI=1S/C10H18O3/c1-2-10(12)13-7-8-4-3-5-9(11)6-8/h8-9,11H,2-7H2,1H3
InChIKeyKOWXIVGGCBYIQY-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 (3-hydroxycyclohexyl)methyl propanoate?
The IUPAC name of (3-hydroxycyclohexyl)methyl propanoate (CID 89020573) is (3-hydroxycyclohexyl)methyl propanoate.
What is the SMILES notation for (3-hydroxycyclohexyl)methyl propanoate?
The canonical SMILES for (3-hydroxycyclohexyl)methyl propanoate is CCC(=O)OCC1CCCC(O)C1.
What is the InChIKey of (3-hydroxycyclohexyl)methyl propanoate?
The InChIKey is KOWXIVGGCBYIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-10(12)13-7-8-4-3-5-9(11)6-8/h8-9,11H,2-7H2,1H3.
What are the key properties of (3-hydroxycyclohexyl)methyl propanoate?
(3-hydroxycyclohexyl)methyl propanoate 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 (3-hydroxycyclohexyl)methyl propanoate is sourced from PubChem (CID 89020573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).