3-methoxy-2,2-dimethyl-6-methylideneoxane

C9H16O2 — CID 153365137

IUPAC3-methoxy-2,2-dimethyl-6-methylideneoxane
SMILESC=C1CCC(OC)C(C)(C)O1
InChIInChI=1S/C9H16O2/c1-7-5-6-8(10-4)9(2,3)11-7/h8H,1,5-6H2,2-4H3
InChIKeyMUUULTNMGCYDRI-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds1

About 3-methoxy-2,2-dimethyl-6-methylideneoxane

3-methoxy-2,2-dimethyl-6-methylideneoxane (PubChem CID 153365137) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-6-methylideneoxane.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-6-methylideneoxane
PubChem CID153365137
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-methoxy-2,2-dimethyl-6-methylideneoxane
SMILESC=C1CCC(OC)C(C)(C)O1
InChIInChI=1S/C9H16O2/c1-7-5-6-8(10-4)9(2,3)11-7/h8H,1,5-6H2,2-4H3
InChIKeyMUUULTNMGCYDRI-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-2,2-dimethyl-6-methylideneoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-6-methylideneoxane?
The IUPAC name of 3-methoxy-2,2-dimethyl-6-methylideneoxane (CID 153365137) is 3-methoxy-2,2-dimethyl-6-methylideneoxane.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-6-methylideneoxane?
The canonical SMILES for 3-methoxy-2,2-dimethyl-6-methylideneoxane is C=C1CCC(OC)C(C)(C)O1.
What is the InChIKey of 3-methoxy-2,2-dimethyl-6-methylideneoxane?
The InChIKey is MUUULTNMGCYDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-5-6-8(10-4)9(2,3)11-7/h8H,1,5-6H2,2-4H3.
What are the key properties of 3-methoxy-2,2-dimethyl-6-methylideneoxane?
3-methoxy-2,2-dimethyl-6-methylideneoxane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-6-methylideneoxane is sourced from PubChem (CID 153365137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).