8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one

C16H28O — CID 71188550

IUPAC8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one
SMILESCC(=O)CC(C)(C)CC(C)(C)CC(C)=C1CC1
InChIInChI=1S/C16H28O/c1-12(14-7-8-14)9-15(3,4)11-16(5,6)10-13(2)17/h7-11H2,1-6H3
InChIKeyDOBJKKFYWPHDDD-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.91
Rot. Bonds6

About 8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one

8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one (PubChem CID 71188550) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one.

Molecular Properties

Compound Name8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one
PubChem CID71188550
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one
SMILESCC(=O)CC(C)(C)CC(C)(C)CC(C)=C1CC1
InChIInChI=1S/C16H28O/c1-12(14-7-8-14)9-15(3,4)11-16(5,6)10-13(2)17/h7-11H2,1-6H3
InChIKeyDOBJKKFYWPHDDD-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one?
The IUPAC name of 8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one (CID 71188550) is 8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one.
What is the SMILES notation for 8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one?
The canonical SMILES for 8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one is CC(=O)CC(C)(C)CC(C)(C)CC(C)=C1CC1.
What is the InChIKey of 8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one?
The InChIKey is DOBJKKFYWPHDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-12(14-7-8-14)9-15(3,4)11-16(5,6)10-13(2)17/h7-11H2,1-6H3.
What are the key properties of 8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one?
8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one has a molecular weight of 236.40 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylidene-4,4,6,6-tetramethylnonan-2-one is sourced from PubChem (CID 71188550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).