2-ethynyloxan-3-ol

C7H10O2 — CID 72757858

IUPAC2-ethynyloxan-3-ol
SMILESC#CC1OCCCC1O
InChIInChI=1S/C7H10O2/c1-2-7-6(8)4-3-5-9-7/h1,6-8H,3-5H2
InChIKeyIBOOZKPKMMWMAM-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.16
Rot. Bonds

About 2-ethynyloxan-3-ol

2-ethynyloxan-3-ol (PubChem CID 72757858) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-ethynyloxan-3-ol.

Molecular Properties

Compound Name2-ethynyloxan-3-ol
PubChem CID72757858
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-ethynyloxan-3-ol
SMILESC#CC1OCCCC1O
InChIInChI=1S/C7H10O2/c1-2-7-6(8)4-3-5-9-7/h1,6-8H,3-5H2
InChIKeyIBOOZKPKMMWMAM-UHFFFAOYSA-N
XLogP0.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethynyloxan-3-ol?
The IUPAC name of 2-ethynyloxan-3-ol (CID 72757858) is 2-ethynyloxan-3-ol.
What is the SMILES notation for 2-ethynyloxan-3-ol?
The canonical SMILES for 2-ethynyloxan-3-ol is C#CC1OCCCC1O.
What is the InChIKey of 2-ethynyloxan-3-ol?
The InChIKey is IBOOZKPKMMWMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-7-6(8)4-3-5-9-7/h1,6-8H,3-5H2.
What are the key properties of 2-ethynyloxan-3-ol?
2-ethynyloxan-3-ol has a molecular weight of 126.15 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyloxan-3-ol is sourced from PubChem (CID 72757858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).