2-methylidene-4-propyloxolane

C8H14O — CID 129255933

IUPAC2-methylidene-4-propyloxolane
SMILESC=C1CC(CCC)CO1
InChIInChI=1S/C8H14O/c1-3-4-8-5-7(2)9-6-8/h8H,2-6H2,1H3
InChIKeyROVDBWIWOSBJPL-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds2

About 2-methylidene-4-propyloxolane

2-methylidene-4-propyloxolane (PubChem CID 129255933) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methylidene-4-propyloxolane.

Molecular Properties

Compound Name2-methylidene-4-propyloxolane
PubChem CID129255933
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-methylidene-4-propyloxolane
SMILESC=C1CC(CCC)CO1
InChIInChI=1S/C8H14O/c1-3-4-8-5-7(2)9-6-8/h8H,2-6H2,1H3
InChIKeyROVDBWIWOSBJPL-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-propyloxolane?
The IUPAC name of 2-methylidene-4-propyloxolane (CID 129255933) is 2-methylidene-4-propyloxolane.
What is the SMILES notation for 2-methylidene-4-propyloxolane?
The canonical SMILES for 2-methylidene-4-propyloxolane is C=C1CC(CCC)CO1.
What is the InChIKey of 2-methylidene-4-propyloxolane?
The InChIKey is ROVDBWIWOSBJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-4-8-5-7(2)9-6-8/h8H,2-6H2,1H3.
What are the key properties of 2-methylidene-4-propyloxolane?
2-methylidene-4-propyloxolane has a molecular weight of 126.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-propyloxolane is sourced from PubChem (CID 129255933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).