ethoxyethane;2-methylprop-1-ene

C8H18O — CID 19913928

IUPACethoxyethane;2-methylprop-1-ene
SMILESC=C(C)C.CCOCC
InChIInChI=1S/C4H10O.C4H8/c1-3-5-4-2;1-4(2)3/h3-4H2,1-2H3;1H2,2-3H3
InChIKeyVLHDBOJGYKVFOD-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.63
Rot. Bonds2

About ethoxyethane;2-methylprop-1-ene

ethoxyethane;2-methylprop-1-ene (PubChem CID 19913928) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is ethoxyethane;2-methylprop-1-ene.

Molecular Properties

Compound Nameethoxyethane;2-methylprop-1-ene
PubChem CID19913928
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Nameethoxyethane;2-methylprop-1-ene
SMILESC=C(C)C.CCOCC
InChIInChI=1S/C4H10O.C4H8/c1-3-5-4-2;1-4(2)3/h3-4H2,1-2H3;1H2,2-3H3
InChIKeyVLHDBOJGYKVFOD-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.63
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

ethoxyethane;2-prop-1-en-2-yloxyprop-1-ene
CID 174797706
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethanol;ethene;ethoxyethane
CID 139434375
ethoxyethane;hydroxylamine
CID 135816400
ethoxyethane;formaldehyde
CID 174286087
ethane-1,2-diol;ethene;ethoxyethane
CID 173171004
ethane-1,2-diol;ethene;ethoxyethane
CID 173009607
ethoxyethane;hydrate
CID 22594236
ethoxyethane;sulfane
CID 90240371
disodium;ethoxyethane
CID 23107014
ethoxyethane;pentahydrate
CID 141041283

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-methylprop-1-ene?
The IUPAC name of ethoxyethane;2-methylprop-1-ene (CID 19913928) is ethoxyethane;2-methylprop-1-ene.
What is the SMILES notation for ethoxyethane;2-methylprop-1-ene?
The canonical SMILES for ethoxyethane;2-methylprop-1-ene is C=C(C)C.CCOCC.
What is the InChIKey of ethoxyethane;2-methylprop-1-ene?
The InChIKey is VLHDBOJGYKVFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H8/c1-3-5-4-2;1-4(2)3/h3-4H2,1-2H3;1H2,2-3H3.
What are the key properties of ethoxyethane;2-methylprop-1-ene?
ethoxyethane;2-methylprop-1-ene has a molecular weight of 130.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-methylprop-1-ene is sourced from PubChem (CID 19913928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).