6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one

C23H36O3 — CID 67923664

IUPAC6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one
SMILESCC1(C)CC(C2CCCCC2)=C(C=CC2CC(O)CC(=O)O2)C(C)(C)C1
InChIInChI=1S/C23H36O3/c1-22(2)14-19(16-8-6-5-7-9-16)20(23(3,4)15-22)11-10-18-12-17(24)13-21(25)26-18/h10-11,16-18,24H,5-9,12-15H2,1-4H3
InChIKeyLUPNLOSBEFLNKD-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.33
Rot. Bonds3

About 6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one

6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one (PubChem CID 67923664) has the molecular formula C23H36O3 and a molecular weight of 360.54 g/mol. Its IUPAC name is 6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one
PubChem CID67923664
Molecular FormulaC23H36O3
Molecular Weight360.54 g/mol
Exact Mass360.27
IUPAC Name6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one
SMILESCC1(C)CC(C2CCCCC2)=C(C=CC2CC(O)CC(=O)O2)C(C)(C)C1
InChIInChI=1S/C23H36O3/c1-22(2)14-19(16-8-6-5-7-9-16)20(23(3,4)15-22)11-10-18-12-17(24)13-21(25)26-18/h10-11,16-18,24H,5-9,12-15H2,1-4H3
InChIKeyLUPNLOSBEFLNKD-UHFFFAOYSA-N
XLogP5.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one?
The IUPAC name of 6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one (CID 67923664) is 6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one.
What is the SMILES notation for 6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one?
The canonical SMILES for 6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one is CC1(C)CC(C2CCCCC2)=C(C=CC2CC(O)CC(=O)O2)C(C)(C)C1.
What is the InChIKey of 6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one?
The InChIKey is LUPNLOSBEFLNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O3/c1-22(2)14-19(16-8-6-5-7-9-16)20(23(3,4)15-22)11-10-18-12-17(24)13-21(25)26-18/h10-11,16-18,24H,5-9,12-15H2,1-4H3.
What are the key properties of 6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one?
6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one has a molecular weight of 360.54 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-cyclohexyl-4,4,6,6-tetramethylcyclohexen-1-yl)ethenyl]-4-hydroxyoxan-2-one is sourced from PubChem (CID 67923664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).