2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane

C16H28O — CID 143681814

IUPAC2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane
SMILESC=C1CCOC(CC2CCC(C)C2(C)CC)C1
InChIInChI=1S/C16H28O/c1-5-16(4)13(3)6-7-14(16)11-15-10-12(2)8-9-17-15/h13-15H,2,5-11H2,1,3-4H3
InChIKeyCEBBPPOFMSLEML-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.57
Rot. Bonds3

About 2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane

2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane (PubChem CID 143681814) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane.

Molecular Properties

Compound Name2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane
PubChem CID143681814
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane
SMILESC=C1CCOC(CC2CCC(C)C2(C)CC)C1
InChIInChI=1S/C16H28O/c1-5-16(4)13(3)6-7-14(16)11-15-10-12(2)8-9-17-15/h13-15H,2,5-11H2,1,3-4H3
InChIKeyCEBBPPOFMSLEML-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R,7S)-4-ethenyl-4-methyl-7-pentyl-6-oxaspiro[4.5]decane
CID 11149388
(4S,5R,7S)-4-ethenyl-7-pentyl-6-oxaspiro[4.5]decane
CID 101234839
(4S)-4-ethenyl-4-methyl-7-pentyl-6-oxaspiro[4.5]decane
CID 134856564
2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)tetrahydro-2H-pyran
CID 3813728
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]heptanyl)-6-methyl-4-methylideneoxane
CID 23454490
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane
CID 23458135
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
CID 23458136
4-Methylidene-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane
CID 24990788
4-Methyl-4-(3-methylbut-3-enoxy)-2-[(2,2,3-trimethylcyclopentyl)methyl]oxane
CID 24991155
(1R,3S,4R,7R)-1-ethyl-3,7-dimethyl-5-methylidene-2-oxabicyclo[2.2.1]heptane
CID 59638521

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane?
The IUPAC name of 2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane (CID 143681814) is 2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane.
What is the SMILES notation for 2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane?
The canonical SMILES for 2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane is C=C1CCOC(CC2CCC(C)C2(C)CC)C1.
What is the InChIKey of 2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane?
The InChIKey is CEBBPPOFMSLEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-5-16(4)13(3)6-7-14(16)11-15-10-12(2)8-9-17-15/h13-15H,2,5-11H2,1,3-4H3.
What are the key properties of 2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane?
2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane has a molecular weight of 236.40 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2,3-dimethylcyclopentyl)methyl]-4-methylideneoxane is sourced from PubChem (CID 143681814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).