2-ethyl-3,3,6-trimethyl-4-methylideneoxane

C11H20O — CID 156808409

IUPAC2-ethyl-3,3,6-trimethyl-4-methylideneoxane
SMILESC=C1CC(C)OC(CC)C1(C)C
InChIInChI=1S/C11H20O/c1-6-10-11(4,5)8(2)7-9(3)12-10/h9-10H,2,6-7H2,1,3-5H3
InChIKeyNTVFTOARWIHUGN-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds1

About 2-ethyl-3,3,6-trimethyl-4-methylideneoxane

2-ethyl-3,3,6-trimethyl-4-methylideneoxane (PubChem CID 156808409) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-ethyl-3,3,6-trimethyl-4-methylideneoxane.

Molecular Properties

Compound Name2-ethyl-3,3,6-trimethyl-4-methylideneoxane
PubChem CID156808409
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-ethyl-3,3,6-trimethyl-4-methylideneoxane
SMILESC=C1CC(C)OC(CC)C1(C)C
InChIInChI=1S/C11H20O/c1-6-10-11(4,5)8(2)7-9(3)12-10/h9-10H,2,6-7H2,1,3-5H3
InChIKeyNTVFTOARWIHUGN-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
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-ethyl-3,3,6-trimethyl-4-methylideneoxane?
The IUPAC name of 2-ethyl-3,3,6-trimethyl-4-methylideneoxane (CID 156808409) is 2-ethyl-3,3,6-trimethyl-4-methylideneoxane.
What is the SMILES notation for 2-ethyl-3,3,6-trimethyl-4-methylideneoxane?
The canonical SMILES for 2-ethyl-3,3,6-trimethyl-4-methylideneoxane is C=C1CC(C)OC(CC)C1(C)C.
What is the InChIKey of 2-ethyl-3,3,6-trimethyl-4-methylideneoxane?
The InChIKey is NTVFTOARWIHUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-10-11(4,5)8(2)7-9(3)12-10/h9-10H,2,6-7H2,1,3-5H3.
What are the key properties of 2-ethyl-3,3,6-trimethyl-4-methylideneoxane?
2-ethyl-3,3,6-trimethyl-4-methylideneoxane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3,6-trimethyl-4-methylideneoxane is sourced from PubChem (CID 156808409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).