1-ethenoxy-2-methylpropane

C6H12O — CID 7992

IUPAC1-ethenoxy-2-methylpropane
SMILESC=COCC(C)C
InChIInChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3
InChIKeyOZCMOJQQLBXBKI-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.80
Rot. Bonds3

About 1-ethenoxy-2-methylpropane

1-ethenoxy-2-methylpropane (PubChem CID 7992) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 1-ethenoxy-2-methylpropane.

Molecular Properties

Compound Name1-ethenoxy-2-methylpropane
PubChem CID7992
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name1-ethenoxy-2-methylpropane
SMILESC=COCC(C)C
InChIInChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3
InChIKeyOZCMOJQQLBXBKI-UHFFFAOYSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Ethyl vinyl ether
CID 8023
Butyl vinyl ether
CID 8108
Propyl vinyl ether
CID 69815
Propane, 2-(ethenyloxy)-2-methyl-
CID 70220
Vinylisopentyl ether
CID 142381
1-(Ethenyloxy)-2-methylpropane--hydrogen chloride (1/1)
CID 71359407
(2-Methyl-butyl)-vinyl-ether
CID 19917295
1-(Ethenyloxy)-2,2-dimethylpropane
CID 14897351
1-((E)-2-Methoxy-vinyloxy)-propane
CID 18988600
Ethenoxyethane;1-ethenoxy-2-methylpropane
CID 19098017
1-Deuterio-1-ethoxyethene
CID 12202961
e-1-Deutero-2-ethoxyethylene
CID 16692452

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-methylpropane?
The IUPAC name of 1-ethenoxy-2-methylpropane (CID 7992) is 1-ethenoxy-2-methylpropane.
What is the SMILES notation for 1-ethenoxy-2-methylpropane?
The canonical SMILES for 1-ethenoxy-2-methylpropane is C=COCC(C)C.
What is the InChIKey of 1-ethenoxy-2-methylpropane?
The InChIKey is OZCMOJQQLBXBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3.
What are the key properties of 1-ethenoxy-2-methylpropane?
1-ethenoxy-2-methylpropane has a molecular weight of 100.16 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methylpropane is sourced from PubChem (CID 7992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).