2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one

C14H22O2 — CID 10751521

IUPAC2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(=C2CCCCC2)C(=O)C1(C)C
InChIInChI=1S/C14H22O2/c1-13(2)12(15)11(16-14(13,3)4)10-8-6-5-7-9-10/h5-9H2,1-4H3
InChIKeyZXEFUQFYMVLOGZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.61
Rot. Bonds

About 2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one

2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one (PubChem CID 10751521) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one
PubChem CID10751521
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(=C2CCCCC2)C(=O)C1(C)C
InChIInChI=1S/C14H22O2/c1-13(2)12(15)11(16-14(13,3)4)10-8-6-5-7-9-10/h5-9H2,1-4H3
InChIKeyZXEFUQFYMVLOGZ-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one?
The IUPAC name of 2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one (CID 10751521) is 2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one is CC1(C)OC(=C2CCCCC2)C(=O)C1(C)C.
What is the InChIKey of 2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one?
The InChIKey is ZXEFUQFYMVLOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-13(2)12(15)11(16-14(13,3)4)10-8-6-5-7-9-10/h5-9H2,1-4H3.
What are the key properties of 2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one?
2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one has a molecular weight of 222.33 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-4,4,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 10751521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).