[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate

C18H26O2 — CID 85187126

IUPAC[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate
SMILESCC(=O)OC1CC(C)CCC1C(C)(C)c1ccccc1
InChIInChI=1S/C18H26O2/c1-13-10-11-16(17(12-13)20-14(2)19)18(3,4)15-8-6-5-7-9-15/h5-9,13,16-17H,10-12H2,1-4H3
InChIKeyFUVDQRFHOXIVOL-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.33
Rot. Bonds3

About [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate

[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate (PubChem CID 85187126) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate.

Molecular Properties

Compound Name[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate
PubChem CID85187126
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate
SMILESCC(=O)OC1CC(C)CCC1C(C)(C)c1ccccc1
InChIInChI=1S/C18H26O2/c1-13-10-11-16(17(12-13)20-14(2)19)18(3,4)15-8-6-5-7-9-15/h5-9,13,16-17H,10-12H2,1-4H3
InChIKeyFUVDQRFHOXIVOL-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate?
The IUPAC name of [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate (CID 85187126) is [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate.
What is the SMILES notation for [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate?
The canonical SMILES for [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate is CC(=O)OC1CC(C)CCC1C(C)(C)c1ccccc1.
What is the InChIKey of [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate?
The InChIKey is FUVDQRFHOXIVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-13-10-11-16(17(12-13)20-14(2)19)18(3,4)15-8-6-5-7-9-15/h5-9,13,16-17H,10-12H2,1-4H3.
What are the key properties of [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate?
[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate has a molecular weight of 274.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] acetate is sourced from PubChem (CID 85187126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).