(4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate

C17H30O3 — CID 21351044

IUPAC(4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate
SMILESCCCC1CCC(C(=O)OC2CCC(OC)CC2)CC1
InChIInChI=1S/C17H30O3/c1-3-4-13-5-7-14(8-6-13)17(18)20-16-11-9-15(19-2)10-12-16/h13-16H,3-12H2,1-2H3
InChIKeyDTRYBYIAXOIPNY-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.09
Rot. Bonds5

About (4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate

(4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate (PubChem CID 21351044) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate
PubChem CID21351044
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate
SMILESCCCC1CCC(C(=O)OC2CCC(OC)CC2)CC1
InChIInChI=1S/C17H30O3/c1-3-4-13-5-7-14(8-6-13)17(18)20-16-11-9-15(19-2)10-12-16/h13-16H,3-12H2,1-2H3
InChIKeyDTRYBYIAXOIPNY-UHFFFAOYSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate?
The IUPAC name of (4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate (CID 21351044) is (4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate.
What is the SMILES notation for (4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate?
The canonical SMILES for (4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate is CCCC1CCC(C(=O)OC2CCC(OC)CC2)CC1.
What is the InChIKey of (4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate?
The InChIKey is DTRYBYIAXOIPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-3-4-13-5-7-14(8-6-13)17(18)20-16-11-9-15(19-2)10-12-16/h13-16H,3-12H2,1-2H3.
What are the key properties of (4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate?
(4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate has a molecular weight of 282.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate is sourced from PubChem (CID 21351044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).