4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane

C11H20O2 — CID 15483050

IUPAC4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane
SMILESC=C1C(C(C)(C)OC)COC1(C)C
InChIInChI=1S/C11H20O2/c1-8-9(11(4,5)12-6)7-13-10(8,2)3/h9H,1,7H2,2-6H3
InChIKeyWXHDJPSWISBXFP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.39
Rot. Bonds2

About 4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane

4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane (PubChem CID 15483050) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane
PubChem CID15483050
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane
SMILESC=C1C(C(C)(C)OC)COC1(C)C
InChIInChI=1S/C11H20O2/c1-8-9(11(4,5)12-6)7-13-10(8,2)3/h9H,1,7H2,2-6H3
InChIKeyWXHDJPSWISBXFP-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane?
The IUPAC name of 4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane (CID 15483050) is 4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane?
The canonical SMILES for 4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane is C=C1C(C(C)(C)OC)COC1(C)C.
What is the InChIKey of 4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane?
The InChIKey is WXHDJPSWISBXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-9(11(4,5)12-6)7-13-10(8,2)3/h9H,1,7H2,2-6H3.
What are the key properties of 4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane?
4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane has a molecular weight of 184.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane is sourced from PubChem (CID 15483050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).