2,4-dimethyloxane;ethane

C11H26O — CID 143101228

IUPAC2,4-dimethyloxane;ethane
SMILESCC.CC.CC1CCOC(C)C1
InChIInChI=1S/C7H14O.2C2H6/c1-6-3-4-8-7(2)5-6;2*1-2/h6-7H,3-5H2,1-2H3;2*1-2H3
InChIKeyNBPSJHQBJXCOEN-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.87
Rot. Bonds

About 2,4-dimethyloxane;ethane

2,4-dimethyloxane;ethane (PubChem CID 143101228) has the molecular formula C11H26O and a molecular weight of 174.33 g/mol. Its IUPAC name is 2,4-dimethyloxane;ethane.

Molecular Properties

Compound Name2,4-dimethyloxane;ethane
PubChem CID143101228
Molecular FormulaC11H26O
Molecular Weight174.33 g/mol
Exact Mass174.20
IUPAC Name2,4-dimethyloxane;ethane
SMILESCC.CC.CC1CCOC(C)C1
InChIInChI=1S/C7H14O.2C2H6/c1-6-3-4-8-7(2)5-6;2*1-2/h6-7H,3-5H2,1-2H3;2*1-2H3
InChIKeyNBPSJHQBJXCOEN-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-2,4-dimethyloxane
CID 129313541
acetylene;2,4-dimethyloxane
CID 142252938
2,4-dimethyloxane;methane;methanol
CID 145467505
2,4-dimethyloxane;ethene;methanol
CID 145468065
acetonitrile;2,4-dimethyloxane
CID 144710823
(2-methyloxan-4-yl)phosphane
CID 156867096
(2R,4S)-2-cyclopropyl-4-methyloxane
CID 118913002
2,6-dimethyl-1,3-dioxocane
CID 67957151
(2S,4R)-2-methyl-4-propan-2-yloxane
CID 177186832
2-methyl-4-(oxiran-2-yl)oxane
CID 126541590
2-(2,4-dimethylpentan-3-yl)-4-methyloxane
CID 176760513
[(2S,4R)-2-methyloxan-4-yl]methanamine
CID 95335813

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloxane;ethane?
The IUPAC name of 2,4-dimethyloxane;ethane (CID 143101228) is 2,4-dimethyloxane;ethane.
What is the SMILES notation for 2,4-dimethyloxane;ethane?
The canonical SMILES for 2,4-dimethyloxane;ethane is CC.CC.CC1CCOC(C)C1.
What is the InChIKey of 2,4-dimethyloxane;ethane?
The InChIKey is NBPSJHQBJXCOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.2C2H6/c1-6-3-4-8-7(2)5-6;2*1-2/h6-7H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of 2,4-dimethyloxane;ethane?
2,4-dimethyloxane;ethane has a molecular weight of 174.33 g/mol, XLogP of 3.87, 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 is sourced from PubChem (CID 143101228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).