3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol

C12H24O4 — CID 153365136

IUPAC3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol
SMILESC=C1CCC(OC)C(C)(C)O1.CC(C)(O)O
InChIInChI=1S/C9H16O2.C3H8O2/c1-7-5-6-8(10-4)9(2,3)11-7;1-3(2,4)5/h8H,1,5-6H2,2-4H3;4-5H,1-2H3
InChIKeyMMZOTLOYJIRLQP-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.81
Rot. Bonds1

About 3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol

3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol (PubChem CID 153365136) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol
PubChem CID153365136
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol
SMILESC=C1CCC(OC)C(C)(C)O1.CC(C)(O)O
InChIInChI=1S/C9H16O2.C3H8O2/c1-7-5-6-8(10-4)9(2,3)11-7;1-3(2,4)5/h8H,1,5-6H2,2-4H3;4-5H,1-2H3
InChIKeyMMZOTLOYJIRLQP-UHFFFAOYSA-N
XLogP1.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

3-Hex-1-enoxy-2,2-dimethyloxane
CID 154260075
4-[1-[2-(2-Methoxyethoxy)ethoxy]ethenyl]-2-methyloxane
CID 143374559
3-Methoxy-2,2-dimethyl-6-methylideneoxane
CID 153365137

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol?
The IUPAC name of 3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol (CID 153365136) is 3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol?
The canonical SMILES for 3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol is C=C1CCC(OC)C(C)(C)O1.CC(C)(O)O.
What is the InChIKey of 3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol?
The InChIKey is MMZOTLOYJIRLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C3H8O2/c1-7-5-6-8(10-4)9(2,3)11-7;1-3(2,4)5/h8H,1,5-6H2,2-4H3;4-5H,1-2H3.
What are the key properties of 3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol?
3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol has a molecular weight of 232.32 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-6-methylideneoxane;propane-2,2-diol is sourced from PubChem (CID 153365136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).