2,2,3,5,5-pentamethyl-6-methylideneoxane

C11H20O — CID 54218419

IUPAC2,2,3,5,5-pentamethyl-6-methylideneoxane
SMILESC=C1OC(C)(C)C(C)CC1(C)C
InChIInChI=1S/C11H20O/c1-8-7-10(3,4)9(2)12-11(8,5)6/h8H,2,7H2,1,3-6H3
InChIKeyQAUOGPZXUZTQFI-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds

About 2,2,3,5,5-pentamethyl-6-methylideneoxane

2,2,3,5,5-pentamethyl-6-methylideneoxane (PubChem CID 54218419) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,2,3,5,5-pentamethyl-6-methylideneoxane.

Molecular Properties

Compound Name2,2,3,5,5-pentamethyl-6-methylideneoxane
PubChem CID54218419
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,2,3,5,5-pentamethyl-6-methylideneoxane
SMILESC=C1OC(C)(C)C(C)CC1(C)C
InChIInChI=1S/C11H20O/c1-8-7-10(3,4)9(2)12-11(8,5)6/h8H,2,7H2,1,3-6H3
InChIKeyQAUOGPZXUZTQFI-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,5-pentamethyl-6-methylideneoxane?
The IUPAC name of 2,2,3,5,5-pentamethyl-6-methylideneoxane (CID 54218419) is 2,2,3,5,5-pentamethyl-6-methylideneoxane.
What is the SMILES notation for 2,2,3,5,5-pentamethyl-6-methylideneoxane?
The canonical SMILES for 2,2,3,5,5-pentamethyl-6-methylideneoxane is C=C1OC(C)(C)C(C)CC1(C)C.
What is the InChIKey of 2,2,3,5,5-pentamethyl-6-methylideneoxane?
The InChIKey is QAUOGPZXUZTQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8-7-10(3,4)9(2)12-11(8,5)6/h8H,2,7H2,1,3-6H3.
What are the key properties of 2,2,3,5,5-pentamethyl-6-methylideneoxane?
2,2,3,5,5-pentamethyl-6-methylideneoxane has a molecular weight of 168.28 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,5-pentamethyl-6-methylideneoxane is sourced from PubChem (CID 54218419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).