2,2-dimethyloxane;ethene

C9H18O — CID 168913071

IUPAC2,2-dimethyloxane;ethene
SMILESC=C.CC1(C)CCCCO1
InChIInChI=1S/C7H14O.C2H4/c1-7(2)5-3-4-6-8-7;1-2/h3-6H2,1-2H3;1-2H2
InChIKeyDTUZHUPHIXWPSU-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds

About 2,2-dimethyloxane;ethene

2,2-dimethyloxane;ethene (PubChem CID 168913071) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,2-dimethyloxane;ethene.

Molecular Properties

Compound Name2,2-dimethyloxane;ethene
PubChem CID168913071
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,2-dimethyloxane;ethene
SMILESC=C.CC1(C)CCCCO1
InChIInChI=1S/C7H14O.C2H4/c1-7(2)5-3-4-6-8-7;1-2/h3-6H2,1-2H3;1-2H2
InChIKeyDTUZHUPHIXWPSU-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
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

2,2-Dimethyloxane
CID 12395962
2,2,4-trimethyltetrahydro-2H-pyran
CID 12395961
2,2,5-Trimethyloxane
CID 12541918
4-Ethyl-2,2-dimethyloxane
CID 57545261
2,2,5,5-Tetramethyloxane
CID 69506803
(4R)-2,2,4-trimethyloxane
CID 89896431
(4S)-2,2,4-trimethyloxane
CID 126513061
2,4-Dimethyloxane;ethane;ethene
CID 142118331
(5R)-2,2,5-trimethyloxane
CID 142432649
1,2,2-Trimethyloxan-1-ium
CID 142629566
(2S,4S)-2,4-dimethyloxane;ethene
CID 143101140
2,2-Dimethyloxane;ethane
CID 143108803

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloxane;ethene?
The IUPAC name of 2,2-dimethyloxane;ethene (CID 168913071) is 2,2-dimethyloxane;ethene.
What is the SMILES notation for 2,2-dimethyloxane;ethene?
The canonical SMILES for 2,2-dimethyloxane;ethene is C=C.CC1(C)CCCCO1.
What is the InChIKey of 2,2-dimethyloxane;ethene?
The InChIKey is DTUZHUPHIXWPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C2H4/c1-7(2)5-3-4-6-8-7;1-2/h3-6H2,1-2H3;1-2H2.
What are the key properties of 2,2-dimethyloxane;ethene?
2,2-dimethyloxane;ethene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxane;ethene is sourced from PubChem (CID 168913071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).