3-methylidene-4-(3-methylpent-1-ynyl)oxolane

C11H16O — CID 123915912

IUPAC3-methylidene-4-(3-methylpent-1-ynyl)oxolane
SMILESC=C1COCC1C#CC(C)CC
InChIInChI=1S/C11H16O/c1-4-9(2)5-6-11-8-12-7-10(11)3/h9,11H,3-4,7-8H2,1-2H3
InChIKeyCFHNTVKTSLNBPB-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.24
Rot. Bonds1

About 3-methylidene-4-(3-methylpent-1-ynyl)oxolane

3-methylidene-4-(3-methylpent-1-ynyl)oxolane (PubChem CID 123915912) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-methylidene-4-(3-methylpent-1-ynyl)oxolane.

Molecular Properties

Compound Name3-methylidene-4-(3-methylpent-1-ynyl)oxolane
PubChem CID123915912
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name3-methylidene-4-(3-methylpent-1-ynyl)oxolane
SMILESC=C1COCC1C#CC(C)CC
InChIInChI=1S/C11H16O/c1-4-9(2)5-6-11-8-12-7-10(11)3/h9,11H,3-4,7-8H2,1-2H3
InChIKeyCFHNTVKTSLNBPB-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-(3-methylpent-1-ynyl)oxolane?
The IUPAC name of 3-methylidene-4-(3-methylpent-1-ynyl)oxolane (CID 123915912) is 3-methylidene-4-(3-methylpent-1-ynyl)oxolane.
What is the SMILES notation for 3-methylidene-4-(3-methylpent-1-ynyl)oxolane?
The canonical SMILES for 3-methylidene-4-(3-methylpent-1-ynyl)oxolane is C=C1COCC1C#CC(C)CC.
What is the InChIKey of 3-methylidene-4-(3-methylpent-1-ynyl)oxolane?
The InChIKey is CFHNTVKTSLNBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-9(2)5-6-11-8-12-7-10(11)3/h9,11H,3-4,7-8H2,1-2H3.
What are the key properties of 3-methylidene-4-(3-methylpent-1-ynyl)oxolane?
3-methylidene-4-(3-methylpent-1-ynyl)oxolane has a molecular weight of 164.25 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-(3-methylpent-1-ynyl)oxolane is sourced from PubChem (CID 123915912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).