cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C15H24O2 — CID 103449867

IUPACcyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)C2=CCCCC2)C(C)(C)O1
InChIInChI=1S/C15H24O2/c1-14(2)10-12(15(3,4)17-14)13(16)11-8-6-5-7-9-11/h8,12H,5-7,9-10H2,1-4H3
InChIKeyVFWMBJIEZCFEMC-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.65
Rot. Bonds2

About cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone

cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 103449867) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID103449867
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)C2=CCCCC2)C(C)(C)O1
InChIInChI=1S/C15H24O2/c1-14(2)10-12(15(3,4)17-14)13(16)11-8-6-5-7-9-11/h8,12H,5-7,9-10H2,1-4H3
InChIKeyVFWMBJIEZCFEMC-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 103449867) is cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone is CC1(C)CC(C(=O)C2=CCCCC2)C(C)(C)O1.
What is the InChIKey of cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is VFWMBJIEZCFEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-14(2)10-12(15(3,4)17-14)13(16)11-8-6-5-7-9-11/h8,12H,5-7,9-10H2,1-4H3.
What are the key properties of cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 236.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 103449867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).