2,4-dimethyloxane;ethene;methanol

C10H22O2 — CID 145468065

IUPAC2,4-dimethyloxane;ethene;methanol
SMILESC=C.CC1CCOC(C)C1.CO
InChIInChI=1S/C7H14O.C2H4.CH4O/c1-6-3-4-8-7(2)5-6;2*1-2/h6-7H,3-5H2,1-2H3;1-2H2;2H,1H3
InChIKeyKIAQLKODESBOTF-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.23
Rot. Bonds

About 2,4-dimethyloxane;ethene;methanol

2,4-dimethyloxane;ethene;methanol (PubChem CID 145468065) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,4-dimethyloxane;ethene;methanol.

Molecular Properties

Compound Name2,4-dimethyloxane;ethene;methanol
PubChem CID145468065
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,4-dimethyloxane;ethene;methanol
SMILESC=C.CC1CCOC(C)C1.CO
InChIInChI=1S/C7H14O.C2H4.CH4O/c1-6-3-4-8-7(2)5-6;2*1-2/h6-7H,3-5H2,1-2H3;1-2H2;2H,1H3
InChIKeyKIAQLKODESBOTF-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyloxane;methane;methanol
CID 145467505
(4R)-2,4-dimethyloxane
CID 129313541
2,4-dimethyloxane;ethane
CID 143101228
acetylene;2,4-dimethyloxane
CID 142252938
acetonitrile;2,4-dimethyloxane
CID 144710823
ethane;ethene;methanol;4-methyloxane
CID 143101227
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-methyl-1-(4-methyloxan-2-yl)but-3-en-2-ol
CID 11159712

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloxane;ethene;methanol?
The IUPAC name of 2,4-dimethyloxane;ethene;methanol (CID 145468065) is 2,4-dimethyloxane;ethene;methanol.
What is the SMILES notation for 2,4-dimethyloxane;ethene;methanol?
The canonical SMILES for 2,4-dimethyloxane;ethene;methanol is C=C.CC1CCOC(C)C1.CO.
What is the InChIKey of 2,4-dimethyloxane;ethene;methanol?
The InChIKey is KIAQLKODESBOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C2H4.CH4O/c1-6-3-4-8-7(2)5-6;2*1-2/h6-7H,3-5H2,1-2H3;1-2H2;2H,1H3.
What are the key properties of 2,4-dimethyloxane;ethene;methanol?
2,4-dimethyloxane;ethene;methanol has a molecular weight of 174.28 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloxane;ethene;methanol is sourced from PubChem (CID 145468065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).