(2S)-2-(prop-2-ynoxymethyl)oxane

C9H14O2 — CID 175331724

IUPAC(2S)-2-(prop-2-ynoxymethyl)oxane
SMILESC#CCOC[C@@H]1CCCCO1
InChIInChI=1S/C9H14O2/c1-2-6-10-8-9-5-3-4-7-11-9/h1,9H,3-8H2/t9-/m0/s1
InChIKeyFJUPXTBJUGIRJV-VIFPVBQESA-N
MW154.21 g/mol
LogP1.21
Rot. Bonds3

About (2S)-2-(prop-2-ynoxymethyl)oxane

(2S)-2-(prop-2-ynoxymethyl)oxane (PubChem CID 175331724) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-2-(prop-2-ynoxymethyl)oxane.

Molecular Properties

Compound Name(2S)-2-(prop-2-ynoxymethyl)oxane
PubChem CID175331724
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2S)-2-(prop-2-ynoxymethyl)oxane
SMILESC#CCOC[C@@H]1CCCCO1
InChIInChI=1S/C9H14O2/c1-2-6-10-8-9-5-3-4-7-11-9/h1,9H,3-8H2/t9-/m0/s1
InChIKeyFJUPXTBJUGIRJV-VIFPVBQESA-N
XLogP1.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(prop-2-ynoxymethyl)oxane?
The IUPAC name of (2S)-2-(prop-2-ynoxymethyl)oxane (CID 175331724) is (2S)-2-(prop-2-ynoxymethyl)oxane.
What is the SMILES notation for (2S)-2-(prop-2-ynoxymethyl)oxane?
The canonical SMILES for (2S)-2-(prop-2-ynoxymethyl)oxane is C#CCOC[C@@H]1CCCCO1.
What is the InChIKey of (2S)-2-(prop-2-ynoxymethyl)oxane?
The InChIKey is FJUPXTBJUGIRJV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O2/c1-2-6-10-8-9-5-3-4-7-11-9/h1,9H,3-8H2/t9-/m0/s1.
What are the key properties of (2S)-2-(prop-2-ynoxymethyl)oxane?
(2S)-2-(prop-2-ynoxymethyl)oxane has a molecular weight of 154.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(prop-2-ynoxymethyl)oxane is sourced from PubChem (CID 175331724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).