5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one

C14H22O — CID 46848658

IUPAC5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one
SMILESC=C1C(CCC)=C(CCC)C(=O)C1(C)C
InChIInChI=1S/C14H22O/c1-6-8-11-10(3)14(4,5)13(15)12(11)9-7-2/h3,6-9H2,1-2,4-5H3
InChIKeyYOKREWRCFOMFLZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.05
Rot. Bonds4

About 5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one

5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one (PubChem CID 46848658) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one
PubChem CID46848658
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one
SMILESC=C1C(CCC)=C(CCC)C(=O)C1(C)C
InChIInChI=1S/C14H22O/c1-6-8-11-10(3)14(4,5)13(15)12(11)9-7-2/h3,6-9H2,1-2,4-5H3
InChIKeyYOKREWRCFOMFLZ-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one
CID 132604356
5-methoxy-2,2,6,6-tetramethyl-4-pentylcyclohex-4-ene-1,3-dione
CID 122385042
2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one
CID 86058900
1,3-diethyl-5,5-dimethyl-2-methylidene-1,3-diazinane-4,6-dione
CID 54136300
4-ethyl-4-methyl-3-methylideneoxetan-2-one
CID 15082531
5-hexyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one
CID 15543743
3-[2-(2,5-dioxo-4-propylpyrrol-3-yl)oxyethoxy]-4-propylpyrrole-2,5-dione
CID 139764566
2,2-dimethyl-4,4-dipropylcyclobutane-1,3-dione
CID 170693858
1-dodecyl-3,3-dimethyl-4-methylideneazetidin-2-one
CID 102412122
3,3,4,4,5,5,6,6-octamethylcyclohexane-1,2-dione
CID 90110323
(7R)-4-ethyl-7-hydroxy-4,7-dimethyl-5-methylidenespiro[2.4]heptan-6-one
CID 156550343
1,2-dipropylcyclopenta[b]naphthalen-3-one
CID 10659285

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one?
The IUPAC name of 5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one (CID 46848658) is 5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one is C=C1C(CCC)=C(CCC)C(=O)C1(C)C.
What is the InChIKey of 5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one?
The InChIKey is YOKREWRCFOMFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-8-11-10(3)14(4,5)13(15)12(11)9-7-2/h3,6-9H2,1-2,4-5H3.
What are the key properties of 5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one?
5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one has a molecular weight of 206.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-methylidene-2,3-dipropylcyclopent-2-en-1-one is sourced from PubChem (CID 46848658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).