ethene;2-ethoxy-2-methyloxane

C10H20O2 — CID 162017972

IUPACethene;2-ethoxy-2-methyloxane
SMILESC=C.CCOC1(C)CCCCO1
InChIInChI=1S/C8H16O2.C2H4/c1-3-9-8(2)6-4-5-7-10-8;1-2/h3-7H2,1-2H3;1-2H2
InChIKeyYUJFOLWANJBTPR-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds2

About ethene;2-ethoxy-2-methyloxane

ethene;2-ethoxy-2-methyloxane (PubChem CID 162017972) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is ethene;2-ethoxy-2-methyloxane.

Molecular Properties

Compound Nameethene;2-ethoxy-2-methyloxane
PubChem CID162017972
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nameethene;2-ethoxy-2-methyloxane
SMILESC=C.CCOC1(C)CCCCO1
InChIInChI=1S/C8H16O2.C2H4/c1-3-9-8(2)6-4-5-7-10-8;1-2/h3-7H2,1-2H3;1-2H2
InChIKeyYUJFOLWANJBTPR-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid
CID 139751509
2-hex-5-ynoxy-2-methyloxane
CID 102085844
2,2,3-triethoxy-3-methyloxane
CID 150971833
(2-methyloxan-2-yl) 2-methylprop-2-eneperoxoate
CID 141130139
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
ethyl 4-(2-methyloxan-2-yl)-4-oxobutanoate
CID 80681018
1-(2-methyloxan-2-yl)-2-propan-2-yloxyethanamine
CID 80683812
2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane
CID 139750651
ethane;4-ethoxy-4-methyloxane
CID 143599120
2-ethoxy-3-ethyl-3-methyl-2-propoxyoxane
CID 158466824
2,2-diethoxypropane;2,2-dimethoxypropane;2,2-dimethyloxane
CID 91549300
ethyl (2S)-2-formyloxane-2-carboxylate
CID 129408231

Frequently Asked Questions

What is the IUPAC name of ethene;2-ethoxy-2-methyloxane?
The IUPAC name of ethene;2-ethoxy-2-methyloxane (CID 162017972) is ethene;2-ethoxy-2-methyloxane.
What is the SMILES notation for ethene;2-ethoxy-2-methyloxane?
The canonical SMILES for ethene;2-ethoxy-2-methyloxane is C=C.CCOC1(C)CCCCO1.
What is the InChIKey of ethene;2-ethoxy-2-methyloxane?
The InChIKey is YUJFOLWANJBTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H4/c1-3-9-8(2)6-4-5-7-10-8;1-2/h3-7H2,1-2H3;1-2H2.
What are the key properties of ethene;2-ethoxy-2-methyloxane?
ethene;2-ethoxy-2-methyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-ethoxy-2-methyloxane is sourced from PubChem (CID 162017972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).