3,4,6-trimethyl-2-methylideneoxane

C9H16O — CID 20614547

IUPAC3,4,6-trimethyl-2-methylideneoxane
SMILESC=C1OC(C)CC(C)C1C
InChIInChI=1S/C9H16O/c1-6-5-7(2)10-9(4)8(6)3/h6-8H,4-5H2,1-3H3
InChIKeyDAFZWDLAFUNMJI-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.58
Rot. Bonds

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

3,4,6-trimethyl-2-methylideneoxane (PubChem CID 20614547) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,4,6-trimethyl-2-methylideneoxane.

Molecular Properties

Compound Name3,4,6-trimethyl-2-methylideneoxane
PubChem CID20614547
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3,4,6-trimethyl-2-methylideneoxane
SMILESC=C1OC(C)CC(C)C1C
InChIInChI=1S/C9H16O/c1-6-5-7(2)10-9(4)8(6)3/h6-8H,4-5H2,1-3H3
InChIKeyDAFZWDLAFUNMJI-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-2-methylideneoxane?
The IUPAC name of 3,4,6-trimethyl-2-methylideneoxane (CID 20614547) is 3,4,6-trimethyl-2-methylideneoxane.
What is the SMILES notation for 3,4,6-trimethyl-2-methylideneoxane?
The canonical SMILES for 3,4,6-trimethyl-2-methylideneoxane is C=C1OC(C)CC(C)C1C.
What is the InChIKey of 3,4,6-trimethyl-2-methylideneoxane?
The InChIKey is DAFZWDLAFUNMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-6-5-7(2)10-9(4)8(6)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 3,4,6-trimethyl-2-methylideneoxane?
3,4,6-trimethyl-2-methylideneoxane has a molecular weight of 140.23 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-2-methylideneoxane is sourced from PubChem (CID 20614547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).