1-ethenoxy-3,3-dimethylbutane

C8H16O — CID 66368015

IUPAC1-ethenoxy-3,3-dimethylbutane
SMILESC=COCCC(C)(C)C
InChIInChI=1S/C8H16O/c1-5-9-7-6-8(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyQGDLULGKJPWYHE-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.58
Rot. Bonds3

About 1-ethenoxy-3,3-dimethylbutane

1-ethenoxy-3,3-dimethylbutane (PubChem CID 66368015) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-ethenoxy-3,3-dimethylbutane.

Molecular Properties

Compound Name1-ethenoxy-3,3-dimethylbutane
PubChem CID66368015
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-ethenoxy-3,3-dimethylbutane
SMILESC=COCCC(C)(C)C
InChIInChI=1S/C8H16O/c1-5-9-7-6-8(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyQGDLULGKJPWYHE-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isooctyl vinyl ether
CID 142200
1-(Vinyloxy)-2,2-bis((vinyloxy)methyl)butane
CID 21867830
1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane
CID 12768836
3,3-Dimethyl-1-propa-1,2-dienoxybutane
CID 12172762
1-Ethenoxy-2,2-dimethylbutane
CID 19077765
1-Ethenoxy-2,2-bis(methoxymethyl)butane
CID 20396579
2,2-Dimethylpropane;ethenoxyethene
CID 20502796
1-Ethenoxy-2,3-dimethylbutane
CID 21687103
3-Ethenoxy-2,2-dimethylbutane
CID 21863925
1-Ethenoxy-2,4,4-trimethylpentane
CID 54212833
1-Ethenoxy-2,2-dimethylpentane
CID 56974055
2,2-Dimethyl-1-[3-(3-methylbutoxy)propa-1,2-dienoxy]butane
CID 56995350

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3,3-dimethylbutane?
The IUPAC name of 1-ethenoxy-3,3-dimethylbutane (CID 66368015) is 1-ethenoxy-3,3-dimethylbutane.
What is the SMILES notation for 1-ethenoxy-3,3-dimethylbutane?
The canonical SMILES for 1-ethenoxy-3,3-dimethylbutane is C=COCCC(C)(C)C.
What is the InChIKey of 1-ethenoxy-3,3-dimethylbutane?
The InChIKey is QGDLULGKJPWYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-9-7-6-8(2,3)4/h5H,1,6-7H2,2-4H3.
What are the key properties of 1-ethenoxy-3,3-dimethylbutane?
1-ethenoxy-3,3-dimethylbutane has a molecular weight of 128.21 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3,3-dimethylbutane is sourced from PubChem (CID 66368015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).