(2-propylcyclohexyl) propanoate

C12H22O2 — CID 101311520

IUPAC(2-propylcyclohexyl) propanoate
SMILESCCCC1CCCCC1OC(=O)CC
InChIInChI=1S/C12H22O2/c1-3-7-10-8-5-6-9-11(10)14-12(13)4-2/h10-11H,3-9H2,1-2H3
InChIKeyGDOBFXMLZMOURM-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.30
Rot. Bonds4

About (2-propylcyclohexyl) propanoate

(2-propylcyclohexyl) propanoate (PubChem CID 101311520) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2-propylcyclohexyl) propanoate.

Molecular Properties

Compound Name(2-propylcyclohexyl) propanoate
PubChem CID101311520
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2-propylcyclohexyl) propanoate
SMILESCCCC1CCCCC1OC(=O)CC
InChIInChI=1S/C12H22O2/c1-3-7-10-8-5-6-9-11(10)14-12(13)4-2/h10-11H,3-9H2,1-2H3
InChIKeyGDOBFXMLZMOURM-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-propylcyclohexyl) propanoate?
The IUPAC name of (2-propylcyclohexyl) propanoate (CID 101311520) is (2-propylcyclohexyl) propanoate.
What is the SMILES notation for (2-propylcyclohexyl) propanoate?
The canonical SMILES for (2-propylcyclohexyl) propanoate is CCCC1CCCCC1OC(=O)CC.
What is the InChIKey of (2-propylcyclohexyl) propanoate?
The InChIKey is GDOBFXMLZMOURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-7-10-8-5-6-9-11(10)14-12(13)4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of (2-propylcyclohexyl) propanoate?
(2-propylcyclohexyl) propanoate has a molecular weight of 198.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylcyclohexyl) propanoate is sourced from PubChem (CID 101311520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).