3-methylidene-2-propyloxolane

C8H14O — CID 139309830

IUPAC3-methylidene-2-propyloxolane
SMILESC=C1CCOC1CCC
InChIInChI=1S/C8H14O/c1-3-4-8-7(2)5-6-9-8/h8H,2-6H2,1H3
InChIKeyVXDOSROAIDGADQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds2

About 3-methylidene-2-propyloxolane

3-methylidene-2-propyloxolane (PubChem CID 139309830) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-methylidene-2-propyloxolane.

Molecular Properties

Compound Name3-methylidene-2-propyloxolane
PubChem CID139309830
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-methylidene-2-propyloxolane
SMILESC=C1CCOC1CCC
InChIInChI=1S/C8H14O/c1-3-4-8-7(2)5-6-9-8/h8H,2-6H2,1H3
InChIKeyVXDOSROAIDGADQ-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-propyloxolane?
The IUPAC name of 3-methylidene-2-propyloxolane (CID 139309830) is 3-methylidene-2-propyloxolane.
What is the SMILES notation for 3-methylidene-2-propyloxolane?
The canonical SMILES for 3-methylidene-2-propyloxolane is C=C1CCOC1CCC.
What is the InChIKey of 3-methylidene-2-propyloxolane?
The InChIKey is VXDOSROAIDGADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-4-8-7(2)5-6-9-8/h8H,2-6H2,1H3.
What are the key properties of 3-methylidene-2-propyloxolane?
3-methylidene-2-propyloxolane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-propyloxolane is sourced from PubChem (CID 139309830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).