2-methyl-4-methylidene-2-propyloxane

C10H18O — CID 164909415

IUPAC2-methyl-4-methylidene-2-propyloxane
SMILESC=C1CCOC(C)(CCC)C1
InChIInChI=1S/C10H18O/c1-4-6-10(3)8-9(2)5-7-11-10/h2,4-8H2,1,3H3
InChIKeyWPWSERTULHGZIM-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds2

About 2-methyl-4-methylidene-2-propyloxane

2-methyl-4-methylidene-2-propyloxane (PubChem CID 164909415) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-methyl-4-methylidene-2-propyloxane.

Molecular Properties

Compound Name2-methyl-4-methylidene-2-propyloxane
PubChem CID164909415
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-methyl-4-methylidene-2-propyloxane
SMILESC=C1CCOC(C)(CCC)C1
InChIInChI=1S/C10H18O/c1-4-6-10(3)8-9(2)5-7-11-10/h2,4-8H2,1,3H3
InChIKeyWPWSERTULHGZIM-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
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 2-methyl-4-methylidene-2-propyloxane?
The IUPAC name of 2-methyl-4-methylidene-2-propyloxane (CID 164909415) is 2-methyl-4-methylidene-2-propyloxane.
What is the SMILES notation for 2-methyl-4-methylidene-2-propyloxane?
The canonical SMILES for 2-methyl-4-methylidene-2-propyloxane is C=C1CCOC(C)(CCC)C1.
What is the InChIKey of 2-methyl-4-methylidene-2-propyloxane?
The InChIKey is WPWSERTULHGZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-10(3)8-9(2)5-7-11-10/h2,4-8H2,1,3H3.
What are the key properties of 2-methyl-4-methylidene-2-propyloxane?
2-methyl-4-methylidene-2-propyloxane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-2-propyloxane is sourced from PubChem (CID 164909415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).