3-(2-methylbutan-2-yl)-4-methylideneoxane

C11H20O — CID 118477134

IUPAC3-(2-methylbutan-2-yl)-4-methylideneoxane
SMILESC=C1CCOCC1C(C)(C)CC
InChIInChI=1S/C11H20O/c1-5-11(3,4)10-8-12-7-6-9(10)2/h10H,2,5-8H2,1,3-4H3
InChIKeyAREKPVRDUJZHNG-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.02
Rot. Bonds2

About 3-(2-methylbutan-2-yl)-4-methylideneoxane

3-(2-methylbutan-2-yl)-4-methylideneoxane (PubChem CID 118477134) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-4-methylideneoxane.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-4-methylideneoxane
PubChem CID118477134
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-(2-methylbutan-2-yl)-4-methylideneoxane
SMILESC=C1CCOCC1C(C)(C)CC
InChIInChI=1S/C11H20O/c1-5-11(3,4)10-8-12-7-6-9(10)2/h10H,2,5-8H2,1,3-4H3
InChIKeyAREKPVRDUJZHNG-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.02
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-(2-methylbutan-2-yl)-4-methylideneoxane?
The IUPAC name of 3-(2-methylbutan-2-yl)-4-methylideneoxane (CID 118477134) is 3-(2-methylbutan-2-yl)-4-methylideneoxane.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-4-methylideneoxane?
The canonical SMILES for 3-(2-methylbutan-2-yl)-4-methylideneoxane is C=C1CCOCC1C(C)(C)CC.
What is the InChIKey of 3-(2-methylbutan-2-yl)-4-methylideneoxane?
The InChIKey is AREKPVRDUJZHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-11(3,4)10-8-12-7-6-9(10)2/h10H,2,5-8H2,1,3-4H3.
What are the key properties of 3-(2-methylbutan-2-yl)-4-methylideneoxane?
3-(2-methylbutan-2-yl)-4-methylideneoxane has a molecular weight of 168.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)-4-methylideneoxane is sourced from PubChem (CID 118477134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).