2-prop-2-ynyloxane

C8H12O — CID 10898717

IUPAC2-prop-2-ynyloxane
SMILESC#CCC1CCCCO1
InChIInChI=1S/C8H12O/c1-2-5-8-6-3-4-7-9-8/h1,8H,3-7H2
InChIKeyCUMDSDTZMMDOPL-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.58
Rot. Bonds1

About 2-prop-2-ynyloxane

2-prop-2-ynyloxane (PubChem CID 10898717) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-prop-2-ynyloxane.

Molecular Properties

Compound Name2-prop-2-ynyloxane
PubChem CID10898717
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-prop-2-ynyloxane
SMILESC#CCC1CCCCO1
InChIInChI=1S/C8H12O/c1-2-5-8-6-3-4-7-9-8/h1,8H,3-7H2
InChIKeyCUMDSDTZMMDOPL-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.58
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-prop-2-ynyloxane?
The IUPAC name of 2-prop-2-ynyloxane (CID 10898717) is 2-prop-2-ynyloxane.
What is the SMILES notation for 2-prop-2-ynyloxane?
The canonical SMILES for 2-prop-2-ynyloxane is C#CCC1CCCCO1.
What is the InChIKey of 2-prop-2-ynyloxane?
The InChIKey is CUMDSDTZMMDOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-5-8-6-3-4-7-9-8/h1,8H,3-7H2.
What are the key properties of 2-prop-2-ynyloxane?
2-prop-2-ynyloxane has a molecular weight of 124.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynyloxane is sourced from PubChem (CID 10898717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).