2-methyl-2-prop-2-ynoxypropane

C7H12O — CID 7172302

IUPAC2-methyl-2-prop-2-ynoxypropane
SMILESC#CCOC(C)(C)C
InChIInChI=1S/C7H12O/c1-5-6-8-7(2,3)4/h1H,6H2,2-4H3
InChIKeyQIGSPXPODKLGRK-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.43
Rot. Bonds1

About 2-methyl-2-prop-2-ynoxypropane

2-methyl-2-prop-2-ynoxypropane (PubChem CID 7172302) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-methyl-2-prop-2-ynoxypropane.

Molecular Properties

Compound Name2-methyl-2-prop-2-ynoxypropane
PubChem CID7172302
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-methyl-2-prop-2-ynoxypropane
SMILESC#CCOC(C)(C)C
InChIInChI=1S/C7H12O/c1-5-6-8-7(2,3)4/h1H,6H2,2-4H3
InChIKeyQIGSPXPODKLGRK-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-ynoxypropane?
The IUPAC name of 2-methyl-2-prop-2-ynoxypropane (CID 7172302) is 2-methyl-2-prop-2-ynoxypropane.
What is the SMILES notation for 2-methyl-2-prop-2-ynoxypropane?
The canonical SMILES for 2-methyl-2-prop-2-ynoxypropane is C#CCOC(C)(C)C.
What is the InChIKey of 2-methyl-2-prop-2-ynoxypropane?
The InChIKey is QIGSPXPODKLGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5-6-8-7(2,3)4/h1H,6H2,2-4H3.
What are the key properties of 2-methyl-2-prop-2-ynoxypropane?
2-methyl-2-prop-2-ynoxypropane has a molecular weight of 112.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-ynoxypropane is sourced from PubChem (CID 7172302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).