1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane

C12H24O2 — CID 12768836

IUPAC1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane
SMILESCC(C)(C)CO/C=C\OCC(C)(C)C
InChIInChI=1S/C12H24O2/c1-11(2,3)9-13-7-8-14-10-12(4,5)6/h7-8H,9-10H2,1-6H3/b8-7-
InChIKeyLXNBUIKLAIGOPP-FPLPWBNLSA-N
MW200.32 g/mol
LogP3.58
Rot. Bonds4

About 1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane

1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane (PubChem CID 12768836) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane.

Molecular Properties

Compound Name1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane
PubChem CID12768836
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane
SMILESCC(C)(C)CO/C=C\OCC(C)(C)C
InChIInChI=1S/C12H24O2/c1-11(2,3)9-13-7-8-14-10-12(4,5)6/h7-8H,9-10H2,1-6H3/b8-7-
InChIKeyLXNBUIKLAIGOPP-FPLPWBNLSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane?
The IUPAC name of 1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane (CID 12768836) is 1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane.
What is the SMILES notation for 1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane?
The canonical SMILES for 1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane is CC(C)(C)CO/C=C\OCC(C)(C)C.
What is the InChIKey of 1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane?
The InChIKey is LXNBUIKLAIGOPP-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2,3)9-13-7-8-14-10-12(4,5)6/h7-8H,9-10H2,1-6H3/b8-7-.
What are the key properties of 1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane?
1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane has a molecular weight of 200.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(2,2-dimethylpropoxy)ethenoxy]-2,2-dimethylpropane is sourced from PubChem (CID 12768836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).