4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane

C15H26O — CID 24990788

IUPAC4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane
SMILESC=C1CCOC(CC2CCC(C)C2(C)C)C1
InChIInChI=1S/C15H26O/c1-11-7-8-16-14(9-11)10-13-6-5-12(2)15(13,3)4/h12-14H,1,5-10H2,2-4H3
InChIKeyUOPJWWYFBXJAII-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.18
Rot. Bonds2

About 4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane

4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane (PubChem CID 24990788) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane.

Molecular Properties

Compound Name4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane
PubChem CID24990788
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane
SMILESC=C1CCOC(CC2CCC(C)C2(C)C)C1
InChIInChI=1S/C15H26O/c1-11-7-8-16-14(9-11)10-13-6-5-12(2)15(13,3)4/h12-14H,1,5-10H2,2-4H3
InChIKeyUOPJWWYFBXJAII-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, tetrahydro-4-methylene-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990784
2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)tetrahydro-2H-pyran
CID 3813728
(1S,4R,5S,8R)-4,7,7-trimethyl-10-methylidene-12-oxatricyclo[6.3.1.01,5]dodecane
CID 10242596
2-Tert-butyl-2-methyl-4-methylideneoxane
CID 12338276
5-Tert-butyl-4-methylidene-1-oxaspiro[5.5]undecane
CID 20376179
2-(3-Methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane
CID 23454475
2-Methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane
CID 23454476
2-Methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
CID 23454477
2-(3-Methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
CID 23454482
2-(2-Bicyclo[2.2.1]hept-5-enyl)-6-methyl-4-methylideneoxane
CID 23454485
2-(2-Bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane
CID 23454490
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane
CID 23458135

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane?
The IUPAC name of 4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane (CID 24990788) is 4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane.
What is the SMILES notation for 4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane?
The canonical SMILES for 4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane is C=C1CCOC(CC2CCC(C)C2(C)C)C1.
What is the InChIKey of 4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane?
The InChIKey is UOPJWWYFBXJAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-7-8-16-14(9-11)10-13-6-5-12(2)15(13,3)4/h12-14H,1,5-10H2,2-4H3.
What are the key properties of 4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane?
4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane has a molecular weight of 222.37 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane is sourced from PubChem (CID 24990788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).