2-methylidene-5-oct-2-ynyloxolane

C13H20O — CID 147923116

IUPAC2-methylidene-5-oct-2-ynyloxolane
SMILESC=C1CCC(CC#CCCCCC)O1
InChIInChI=1S/C13H20O/c1-3-4-5-6-7-8-9-13-11-10-12(2)14-13/h13H,2-6,9-11H2,1H3
InChIKeyIIKGIQIZMBMUHH-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.65
Rot. Bonds4

About 2-methylidene-5-oct-2-ynyloxolane

2-methylidene-5-oct-2-ynyloxolane (PubChem CID 147923116) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-methylidene-5-oct-2-ynyloxolane.

Molecular Properties

Compound Name2-methylidene-5-oct-2-ynyloxolane
PubChem CID147923116
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-methylidene-5-oct-2-ynyloxolane
SMILESC=C1CCC(CC#CCCCCC)O1
InChIInChI=1S/C13H20O/c1-3-4-5-6-7-8-9-13-11-10-12(2)14-13/h13H,2-6,9-11H2,1H3
InChIKeyIIKGIQIZMBMUHH-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methylidene-5-oct-2-ynyloxolane?
The IUPAC name of 2-methylidene-5-oct-2-ynyloxolane (CID 147923116) is 2-methylidene-5-oct-2-ynyloxolane.
What is the SMILES notation for 2-methylidene-5-oct-2-ynyloxolane?
The canonical SMILES for 2-methylidene-5-oct-2-ynyloxolane is C=C1CCC(CC#CCCCCC)O1.
What is the InChIKey of 2-methylidene-5-oct-2-ynyloxolane?
The InChIKey is IIKGIQIZMBMUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-3-4-5-6-7-8-9-13-11-10-12(2)14-13/h13H,2-6,9-11H2,1H3.
What are the key properties of 2-methylidene-5-oct-2-ynyloxolane?
2-methylidene-5-oct-2-ynyloxolane has a molecular weight of 192.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-oct-2-ynyloxolane is sourced from PubChem (CID 147923116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).