2-methyl-2-(prop-2-ynoxymethoxy)propane

C8H14O2 — CID 154594071

IUPAC2-methyl-2-(prop-2-ynoxymethoxy)propane
SMILESC#CCOCOC(C)(C)C
InChIInChI=1S/C8H14O2/c1-5-6-9-7-10-8(2,3)4/h1H,6-7H2,2-4H3
InChIKeyJWBAYGWVJJPCJQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.41
Rot. Bonds3

About 2-methyl-2-(prop-2-ynoxymethoxy)propane

2-methyl-2-(prop-2-ynoxymethoxy)propane (PubChem CID 154594071) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-ynoxymethoxy)propane.

Molecular Properties

Compound Name2-methyl-2-(prop-2-ynoxymethoxy)propane
PubChem CID154594071
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-methyl-2-(prop-2-ynoxymethoxy)propane
SMILESC#CCOCOC(C)(C)C
InChIInChI=1S/C8H14O2/c1-5-6-9-7-10-8(2,3)4/h1H,6-7H2,2-4H3
InChIKeyJWBAYGWVJJPCJQ-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(prop-2-ynoxymethoxy)propane?
The IUPAC name of 2-methyl-2-(prop-2-ynoxymethoxy)propane (CID 154594071) is 2-methyl-2-(prop-2-ynoxymethoxy)propane.
What is the SMILES notation for 2-methyl-2-(prop-2-ynoxymethoxy)propane?
The canonical SMILES for 2-methyl-2-(prop-2-ynoxymethoxy)propane is C#CCOCOC(C)(C)C.
What is the InChIKey of 2-methyl-2-(prop-2-ynoxymethoxy)propane?
The InChIKey is JWBAYGWVJJPCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-6-9-7-10-8(2,3)4/h1H,6-7H2,2-4H3.
What are the key properties of 2-methyl-2-(prop-2-ynoxymethoxy)propane?
2-methyl-2-(prop-2-ynoxymethoxy)propane has a molecular weight of 142.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-2-ynoxymethoxy)propane is sourced from PubChem (CID 154594071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).