8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one

C14H24O — CID 85389566

IUPAC8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one
SMILESCC(=O)CCC=C(C)CCC1CC1(C)C
InChIInChI=1S/C14H24O/c1-11(6-5-7-12(2)15)8-9-13-10-14(13,3)4/h6,13H,5,7-10H2,1-4H3
InChIKeyFOLICLVKMKNVHR-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.13
Rot. Bonds6

About 8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one

8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one (PubChem CID 85389566) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one.

Molecular Properties

Compound Name8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one
PubChem CID85389566
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one
SMILESCC(=O)CCC=C(C)CCC1CC1(C)C
InChIInChI=1S/C14H24O/c1-11(6-5-7-12(2)15)8-9-13-10-14(13,3)4/h6,13H,5,7-10H2,1-4H3
InChIKeyFOLICLVKMKNVHR-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.13
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-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one?
The IUPAC name of 8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one (CID 85389566) is 8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one.
What is the SMILES notation for 8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one?
The canonical SMILES for 8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one is CC(=O)CCC=C(C)CCC1CC1(C)C.
What is the InChIKey of 8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one?
The InChIKey is FOLICLVKMKNVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(6-5-7-12(2)15)8-9-13-10-14(13,3)4/h6,13H,5,7-10H2,1-4H3.
What are the key properties of 8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one?
8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one has a molecular weight of 208.34 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylcyclopropyl)-6-methyloct-5-en-2-one is sourced from PubChem (CID 85389566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).