3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane

C10H14O — CID 171937077

IUPAC3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane
SMILESC#CCC1CC2CCC(C1)O2
InChIInChI=1S/C10H14O/c1-2-3-8-6-9-4-5-10(7-8)11-9/h1,8-10H,3-7H2
InChIKeyHXQPERVXGWLJQM-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.97
Rot. Bonds1

About 3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane

3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane (PubChem CID 171937077) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane
PubChem CID171937077
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane
SMILESC#CCC1CC2CCC(C1)O2
InChIInChI=1S/C10H14O/c1-2-3-8-6-9-4-5-10(7-8)11-9/h1,8-10H,3-7H2
InChIKeyHXQPERVXGWLJQM-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.97
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 3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane?
The IUPAC name of 3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane (CID 171937077) is 3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for 3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane is C#CCC1CC2CCC(C1)O2.
What is the InChIKey of 3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane?
The InChIKey is HXQPERVXGWLJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-8-6-9-4-5-10(7-8)11-9/h1,8-10H,3-7H2.
What are the key properties of 3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane?
3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane has a molecular weight of 150.22 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynyl-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 171937077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).