(4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone

C15H26O2 — CID 114975094

IUPAC(4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1CCC(C(=O)C2C(C)OC(C)C2C)CC1
InChIInChI=1S/C15H26O2/c1-9-5-7-13(8-6-9)15(16)14-10(2)11(3)17-12(14)4/h9-14H,5-8H2,1-4H3
InChIKeyMYHVEUSXIVOLAY-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.44
Rot. Bonds2

About (4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone

(4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 114975094) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID114975094
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1CCC(C(=O)C2C(C)OC(C)C2C)CC1
InChIInChI=1S/C15H26O2/c1-9-5-7-13(8-6-9)15(16)14-10(2)11(3)17-12(14)4/h9-14H,5-8H2,1-4H3
InChIKeyMYHVEUSXIVOLAY-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of (4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone (CID 114975094) is (4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for (4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for (4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone is CC1CCC(C(=O)C2C(C)OC(C)C2C)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is MYHVEUSXIVOLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-9-5-7-13(8-6-9)15(16)14-10(2)11(3)17-12(14)4/h9-14H,5-8H2,1-4H3.
What are the key properties of (4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
(4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 114975094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).