2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane

C15H28O — CID 3813728

IUPAC2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane
SMILESC=C1CC(C)OC(CC(C)CC(C)(C)C)C1
InChIInChI=1S/C15H28O/c1-11-7-13(3)16-14(8-11)9-12(2)10-15(4,5)6/h12-14H,1,7-10H2,2-6H3
InChIKeyGDLGVXNDBZLLNX-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.57
Rot. Bonds3

About 2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane

2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane (PubChem CID 3813728) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane.

Molecular Properties

Compound Name2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane
PubChem CID3813728
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane
SMILESC=C1CC(C)OC(CC(C)CC(C)(C)C)C1
InChIInChI=1S/C15H28O/c1-11-7-13(3)16-14(8-11)9-12(2)10-15(4,5)6/h12-14H,1,7-10H2,2-6H3
InChIKeyGDLGVXNDBZLLNX-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.57
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
tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)-
CID 175364
4-Methylidene-2-propan-2-yloxane
CID 12283091
4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
2,2-Dimethyl-5-(prop-1-en-2-yl)oxane
CID 71429158
(2S,4S,6R)-2,4-Dimethyl-8-methylene-1-oxaspiro[5.5]undecane
CID 10512034
(2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene
CID 10774208
W66K9Csq4Z
CID 92278448
(2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane
CID 102186272
(2R)-2-tert-butyl-4-methylideneoxane
CID 134959697
(2R,3S)-3-ethenyl-2-propyloxane
CID 134995819

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane?
The IUPAC name of 2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane (CID 3813728) is 2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane.
What is the SMILES notation for 2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane?
The canonical SMILES for 2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane is C=C1CC(C)OC(CC(C)CC(C)(C)C)C1.
What is the InChIKey of 2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane?
The InChIKey is GDLGVXNDBZLLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-11-7-13(3)16-14(8-11)9-12(2)10-15(4,5)6/h12-14H,1,7-10H2,2-6H3.
What are the key properties of 2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane?
2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane has a molecular weight of 224.39 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-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)oxane is sourced from PubChem (CID 3813728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).