2-methyl-2-(3-prop-2-enoxybutoxy)butane

C12H24O2 — CID 138665315

IUPAC2-methyl-2-(3-prop-2-enoxybutoxy)butane
SMILESC=CCOC(C)CCOC(C)(C)CC
InChIInChI=1S/C12H24O2/c1-6-9-13-11(3)8-10-14-12(4,5)7-2/h6,11H,1,7-10H2,2-5H3
InChIKeyZNBJYLWYXKSMSS-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.17
Rot. Bonds8

About 2-methyl-2-(3-prop-2-enoxybutoxy)butane

2-methyl-2-(3-prop-2-enoxybutoxy)butane (PubChem CID 138665315) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-methyl-2-(3-prop-2-enoxybutoxy)butane.

Molecular Properties

Compound Name2-methyl-2-(3-prop-2-enoxybutoxy)butane
PubChem CID138665315
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-methyl-2-(3-prop-2-enoxybutoxy)butane
SMILESC=CCOC(C)CCOC(C)(C)CC
InChIInChI=1S/C12H24O2/c1-6-9-13-11(3)8-10-14-12(4,5)7-2/h6,11H,1,7-10H2,2-5H3
InChIKeyZNBJYLWYXKSMSS-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-prop-2-enoxybutoxy)butane?
The IUPAC name of 2-methyl-2-(3-prop-2-enoxybutoxy)butane (CID 138665315) is 2-methyl-2-(3-prop-2-enoxybutoxy)butane.
What is the SMILES notation for 2-methyl-2-(3-prop-2-enoxybutoxy)butane?
The canonical SMILES for 2-methyl-2-(3-prop-2-enoxybutoxy)butane is C=CCOC(C)CCOC(C)(C)CC.
What is the InChIKey of 2-methyl-2-(3-prop-2-enoxybutoxy)butane?
The InChIKey is ZNBJYLWYXKSMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-9-13-11(3)8-10-14-12(4,5)7-2/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 2-methyl-2-(3-prop-2-enoxybutoxy)butane?
2-methyl-2-(3-prop-2-enoxybutoxy)butane has a molecular weight of 200.32 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-prop-2-enoxybutoxy)butane is sourced from PubChem (CID 138665315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).