2-ethenoxybutane

C6H12O — CID 13172912

IUPAC2-ethenoxybutane
SMILESC=COC(C)CC
InChIInChI=1S/C6H12O/c1-4-6(3)7-5-2/h5-6H,2,4H2,1,3H3
InChIKeyPIUJWWBOMGMSAY-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.95
Rot. Bonds3

About 2-ethenoxybutane

2-ethenoxybutane (PubChem CID 13172912) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-ethenoxybutane.

Molecular Properties

Compound Name2-ethenoxybutane
PubChem CID13172912
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2-ethenoxybutane
SMILESC=COC(C)CC
InChIInChI=1S/C6H12O/c1-4-6(3)7-5-2/h5-6H,2,4H2,1,3H3
InChIKeyPIUJWWBOMGMSAY-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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

1-chloro-2-ethenoxypropane
CID 139939057
1-ethenoxyethyl(diethyl)arsane
CID 87996822
2-[(E)-prop-1-enoxy]butane
CID 22498076
azane;1-ethenoxypropan-1-amine
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di(butan-2-yloxy)-ethenylborane
CID 151383682
CID 136913499
CID 136913499
butan-2-yloxy-ethenyl-dimethylsilane
CID 559225
7-ethenoxy-4-methyloctane-2,5-diol
CID 141244384
2-O-butan-2-yl 1-O-ethenyl oxalate
CID 152731747
4-ethenoxyheptane
CID 59883029
1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane
CID 158783507
1,1-bis(ethenoxy)octadecane
CID 19822568

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxybutane?
The IUPAC name of 2-ethenoxybutane (CID 13172912) is 2-ethenoxybutane.
What is the SMILES notation for 2-ethenoxybutane?
The canonical SMILES for 2-ethenoxybutane is C=COC(C)CC.
What is the InChIKey of 2-ethenoxybutane?
The InChIKey is PIUJWWBOMGMSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4-6(3)7-5-2/h5-6H,2,4H2,1,3H3.
What are the key properties of 2-ethenoxybutane?
2-ethenoxybutane has a molecular weight of 100.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxybutane is sourced from PubChem (CID 13172912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).