2,4-dimethyloxane;methane;methanol

C9H22O2 — CID 145467505

IUPAC2,4-dimethyloxane;methane;methanol
SMILESC.CC1CCOC(C)C1.CO
InChIInChI=1S/C7H14O.CH4O.CH4/c1-6-3-4-8-7(2)5-6;1-2;/h6-7H,3-5H2,1-2H3;2H,1H3;1H4
InChIKeyWOOZDEWPUTWRPF-UHFFFAOYSA-N
MW162.27 g/mol
LogP2.07
Rot. Bonds

About 2,4-dimethyloxane;methane;methanol

2,4-dimethyloxane;methane;methanol (PubChem CID 145467505) has the molecular formula C9H22O2 and a molecular weight of 162.27 g/mol. Its IUPAC name is 2,4-dimethyloxane;methane;methanol.

Molecular Properties

Compound Name2,4-dimethyloxane;methane;methanol
PubChem CID145467505
Molecular FormulaC9H22O2
Molecular Weight162.27 g/mol
Exact Mass162.16
IUPAC Name2,4-dimethyloxane;methane;methanol
SMILESC.CC1CCOC(C)C1.CO
InChIInChI=1S/C7H14O.CH4O.CH4/c1-6-3-4-8-7(2)5-6;1-2;/h6-7H,3-5H2,1-2H3;2H,1H3;1H4
InChIKeyWOOZDEWPUTWRPF-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyloxane;ethene;methanol
CID 145468065
(4R)-2,4-dimethyloxane
CID 129313541
2,4-dimethyloxane;ethane
CID 143101228
acetylene;2,4-dimethyloxane
CID 142252938
acetonitrile;2,4-dimethyloxane
CID 144710823
2-methyloxane-4-carboxylic acid
CID 3729256
(2-methyloxan-4-yl)phosphane
CID 156867096
(1R)-1-[(2S,4R)-2-methyloxan-4-yl]ethanol
CID 97044423
(1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol
CID 124526820
(2R,4S)-2-cyclopropyl-4-methyloxane
CID 118913002
2-methyloxane-4-sulfinic acid
CID 165449790
2,6-dimethyl-1,3-dioxocane
CID 67957151

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloxane;methane;methanol?
The IUPAC name of 2,4-dimethyloxane;methane;methanol (CID 145467505) is 2,4-dimethyloxane;methane;methanol.
What is the SMILES notation for 2,4-dimethyloxane;methane;methanol?
The canonical SMILES for 2,4-dimethyloxane;methane;methanol is C.CC1CCOC(C)C1.CO.
What is the InChIKey of 2,4-dimethyloxane;methane;methanol?
The InChIKey is WOOZDEWPUTWRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.CH4O.CH4/c1-6-3-4-8-7(2)5-6;1-2;/h6-7H,3-5H2,1-2H3;2H,1H3;1H4.
What are the key properties of 2,4-dimethyloxane;methane;methanol?
2,4-dimethyloxane;methane;methanol has a molecular weight of 162.27 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloxane;methane;methanol is sourced from PubChem (CID 145467505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).