2,4-dimethyloxane;ethane;ethene

C13H30O — CID 142118331

IUPAC2,4-dimethyloxane;ethane;ethene
SMILESC=C.CC.CC.CC1CCOC(C)C1
InChIInChI=1S/C7H14O.2C2H6.C2H4/c1-6-3-4-8-7(2)5-6;3*1-2/h6-7H,3-5H2,1-2H3;2*1-2H3;1-2H2
InChIKeyBLNISEHNSVZIJL-UHFFFAOYSA-N
MW202.38 g/mol
LogP4.68
Rot. Bonds

About 2,4-dimethyloxane;ethane;ethene

2,4-dimethyloxane;ethane;ethene (PubChem CID 142118331) has the molecular formula C13H30O and a molecular weight of 202.38 g/mol. Its IUPAC name is 2,4-dimethyloxane;ethane;ethene.

Molecular Properties

Compound Name2,4-dimethyloxane;ethane;ethene
PubChem CID142118331
Molecular FormulaC13H30O
Molecular Weight202.38 g/mol
Exact Mass202.23
IUPAC Name2,4-dimethyloxane;ethane;ethene
SMILESC=C.CC.CC.CC1CCOC(C)C1
InChIInChI=1S/C7H14O.2C2H6.C2H4/c1-6-3-4-8-7(2)5-6;3*1-2/h6-7H,3-5H2,1-2H3;2*1-2H3;1-2H2
InChIKeyBLNISEHNSVZIJL-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.38
LogP ≤ 54.68
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

2,4,6-Trimethyltetrahydropyrane
CID 13776990
2,6-Dimethyl-4-ethyltetrahydropyrane
CID 22965776
2-Methyl-3-propyltetrahydropyran
CID 57486098
(3S,6S)-2,3,4,5,6-pentamethyloxane
CID 59823957
(2S,4S)-2,4-dimethyltetrahydro-2H-pyran
CID 643059
2H-Pyran, tetrahydro-2,4-dimethyl-, trans-
CID 643061
(2R,4R)-2,4-dimethyloxane
CID 13499612
2,3-Dimethyloxane
CID 21482439
(2R,3R)-2,3-dimethyloxane
CID 21679855
(2R,4S)-2,4-dimethyloxane
CID 21679857
2-Ethyl-4-methyloxane
CID 54230004
(2S,3S)-2,3-dimethyloxane
CID 58714689

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloxane;ethane;ethene?
The IUPAC name of 2,4-dimethyloxane;ethane;ethene (CID 142118331) is 2,4-dimethyloxane;ethane;ethene.
What is the SMILES notation for 2,4-dimethyloxane;ethane;ethene?
The canonical SMILES for 2,4-dimethyloxane;ethane;ethene is C=C.CC.CC.CC1CCOC(C)C1.
What is the InChIKey of 2,4-dimethyloxane;ethane;ethene?
The InChIKey is BLNISEHNSVZIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.2C2H6.C2H4/c1-6-3-4-8-7(2)5-6;3*1-2/h6-7H,3-5H2,1-2H3;2*1-2H3;1-2H2.
What are the key properties of 2,4-dimethyloxane;ethane;ethene?
2,4-dimethyloxane;ethane;ethene has a molecular weight of 202.38 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloxane;ethane;ethene is sourced from PubChem (CID 142118331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).