ethane;ethene;4-methyloxane

C10H22O — CID 168913092

IUPACethane;ethene;4-methyloxane
SMILESC=C.CC.CC1CCOCC1
InChIInChI=1S/C6H12O.C2H6.C2H4/c1-6-2-4-7-5-3-6;2*1-2/h6H,2-5H2,1H3;1-2H3;1-2H2
InChIKeyFNJHQISHYIRDEA-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.26
Rot. Bonds

About ethane;ethene;4-methyloxane

ethane;ethene;4-methyloxane (PubChem CID 168913092) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is ethane;ethene;4-methyloxane.

Molecular Properties

Compound Nameethane;ethene;4-methyloxane
PubChem CID168913092
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Nameethane;ethene;4-methyloxane
SMILESC=C.CC.CC1CCOCC1
InChIInChI=1S/C6H12O.C2H6.C2H4/c1-6-2-4-7-5-3-6;2*1-2/h6H,2-5H2,1H3;1-2H3;1-2H2
InChIKeyFNJHQISHYIRDEA-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.26
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

(3S)-1-ethenoxy-3-methylpentane
CID 101919265
1-Ethenoxy-3-methylpentane
CID 20607526
1-Ethenoxy-3-ethylpentane
CID 88215715
4-(2-Ethenoxyethyl)oxane
CID 89839779
Ethane;4-methyloxane
CID 91171608
Ethane;4-ethyloxane
CID 141780112
2,4-Dimethyloxane;ethane;ethene
CID 142118331
4-Ethyloxane;methane
CID 142240463
Ethane;4-methyloxane;propane
CID 142489090
Ethane;4-methyloxane
CID 142879298
4-Ethyloxane;prop-1-ene
CID 143091754
4-Methyloxane;propane
CID 143100648

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;4-methyloxane?
The IUPAC name of ethane;ethene;4-methyloxane (CID 168913092) is ethane;ethene;4-methyloxane.
What is the SMILES notation for ethane;ethene;4-methyloxane?
The canonical SMILES for ethane;ethene;4-methyloxane is C=C.CC.CC1CCOCC1.
What is the InChIKey of ethane;ethene;4-methyloxane?
The InChIKey is FNJHQISHYIRDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H6.C2H4/c1-6-2-4-7-5-3-6;2*1-2/h6H,2-5H2,1H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;4-methyloxane?
ethane;ethene;4-methyloxane has a molecular weight of 158.28 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;4-methyloxane is sourced from PubChem (CID 168913092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).