2-hexyl-2-methyl-4-methylideneoxane

C13H24O — CID 164909426

IUPAC2-hexyl-2-methyl-4-methylideneoxane
SMILESC=C1CCOC(C)(CCCCCC)C1
InChIInChI=1S/C13H24O/c1-4-5-6-7-9-13(3)11-12(2)8-10-14-13/h2,4-11H2,1,3H3
InChIKeyHJYQEEZUEBMCGM-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.08
Rot. Bonds5

About 2-hexyl-2-methyl-4-methylideneoxane

2-hexyl-2-methyl-4-methylideneoxane (PubChem CID 164909426) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-hexyl-2-methyl-4-methylideneoxane.

Molecular Properties

Compound Name2-hexyl-2-methyl-4-methylideneoxane
PubChem CID164909426
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-hexyl-2-methyl-4-methylideneoxane
SMILESC=C1CCOC(C)(CCCCCC)C1
InChIInChI=1S/C13H24O/c1-4-5-6-7-9-13(3)11-12(2)8-10-14-13/h2,4-11H2,1,3H3
InChIKeyHJYQEEZUEBMCGM-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,6-Tetramethyl-4-methylideneoxane
CID 68305184
1-Oxaspiro[5.5]undecane, 4-methylene-
CID 10899059
tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
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
(2R,3S)-2,3-dimethyl-2-(2-methylideneoctyl)oxetane
CID 11637087
2,2-Dimethyl-6-methylene-3-oxabicyclo[3.3.1]nonane
CID 14313116
2,2,6-Trimethyl-6-prop-2-enyloxane
CID 44604860
2,3-Dimethyl-2-(2-methylideneoctyl)oxetane
CID 73037807

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2-methyl-4-methylideneoxane?
The IUPAC name of 2-hexyl-2-methyl-4-methylideneoxane (CID 164909426) is 2-hexyl-2-methyl-4-methylideneoxane.
What is the SMILES notation for 2-hexyl-2-methyl-4-methylideneoxane?
The canonical SMILES for 2-hexyl-2-methyl-4-methylideneoxane is C=C1CCOC(C)(CCCCCC)C1.
What is the InChIKey of 2-hexyl-2-methyl-4-methylideneoxane?
The InChIKey is HJYQEEZUEBMCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-4-5-6-7-9-13(3)11-12(2)8-10-14-13/h2,4-11H2,1,3H3.
What are the key properties of 2-hexyl-2-methyl-4-methylideneoxane?
2-hexyl-2-methyl-4-methylideneoxane has a molecular weight of 196.33 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-methyl-4-methylideneoxane is sourced from PubChem (CID 164909426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).