2,2-dimethylpropane;ethenoxyethene

C9H18O — CID 20502796

IUPAC2,2-dimethylpropane;ethenoxyethene
SMILESC=COC=C.CC(C)(C)C
InChIInChI=1S/C5H12.C4H6O/c1-5(2,3)4;1-3-5-4-2/h1-4H3;3-4H,1-2H2
InChIKeyLXWZTSNSKPIPSQ-UHFFFAOYSA-N
MW142.24 g/mol
LogP3.34
Rot. Bonds2

About 2,2-dimethylpropane;ethenoxyethene

2,2-dimethylpropane;ethenoxyethene (PubChem CID 20502796) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethenoxyethene.

Molecular Properties

Compound Name2,2-dimethylpropane;ethenoxyethene
PubChem CID20502796
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2,2-dimethylpropane;ethenoxyethene
SMILESC=COC=C.CC(C)(C)C
InChIInChI=1S/C5H12.C4H6O/c1-5(2,3)4;1-3-5-4-2/h1-4H3;3-4H,1-2H2
InChIKeyLXWZTSNSKPIPSQ-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethenoxyethene?
The IUPAC name of 2,2-dimethylpropane;ethenoxyethene (CID 20502796) is 2,2-dimethylpropane;ethenoxyethene.
What is the SMILES notation for 2,2-dimethylpropane;ethenoxyethene?
The canonical SMILES for 2,2-dimethylpropane;ethenoxyethene is C=COC=C.CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane;ethenoxyethene?
The InChIKey is LXWZTSNSKPIPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H6O/c1-5(2,3)4;1-3-5-4-2/h1-4H3;3-4H,1-2H2.
What are the key properties of 2,2-dimethylpropane;ethenoxyethene?
2,2-dimethylpropane;ethenoxyethene has a molecular weight of 142.24 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethenoxyethene is sourced from PubChem (CID 20502796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).