[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane

C20H32O2 — CID 158475695

IUPAC[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
SMILESCC(C)C(=O)OC(c1ccccc1)C1CCCCC1.CCC
InChIInChI=1S/C17H24O2.C3H8/c1-13(2)17(18)19-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-3-2/h3,5-6,9-10,13,15-16H,4,7-8,11-12H2,1-2H3;3H2,1-2H3
InChIKeyHGXCKKDJZVUHSY-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.92
Rot. Bonds4

About [cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane

[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane (PubChem CID 158475695) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is [cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane.

Molecular Properties

Compound Name[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
PubChem CID158475695
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
SMILESCC(C)C(=O)OC(c1ccccc1)C1CCCCC1.CCC
InChIInChI=1S/C17H24O2.C3H8/c1-13(2)17(18)19-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-3-2/h3,5-6,9-10,13,15-16H,4,7-8,11-12H2,1-2H3;3H2,1-2H3
InChIKeyHGXCKKDJZVUHSY-UHFFFAOYSA-N
XLogP5.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane?
The IUPAC name of [cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane (CID 158475695) is [cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane.
What is the SMILES notation for [cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane?
The canonical SMILES for [cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane is CC(C)C(=O)OC(c1ccccc1)C1CCCCC1.CCC.
What is the InChIKey of [cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane?
The InChIKey is HGXCKKDJZVUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2.C3H8/c1-13(2)17(18)19-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-3-2/h3,5-6,9-10,13,15-16H,4,7-8,11-12H2,1-2H3;3H2,1-2H3.
What are the key properties of [cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane?
[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane has a molecular weight of 304.47 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane is sourced from PubChem (CID 158475695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).