4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane

C10H18O2 — CID 102462466

IUPAC4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane
SMILESC=C1C(C)OCC1C(C)(C)OC
InChIInChI=1S/C10H18O2/c1-7-8(2)12-6-9(7)10(3,4)11-5/h8-9H,1,6H2,2-5H3
InChIKeyQCHBBNVFJNNKEC-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.00
Rot. Bonds2

About 4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane

4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane (PubChem CID 102462466) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane
PubChem CID102462466
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane
SMILESC=C1C(C)OCC1C(C)(C)OC
InChIInChI=1S/C10H18O2/c1-7-8(2)12-6-9(7)10(3,4)11-5/h8-9H,1,6H2,2-5H3
InChIKeyQCHBBNVFJNNKEC-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.00
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-methyl-3-methylideneoxolane?
The IUPAC name of 4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane (CID 102462466) is 4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane?
The canonical SMILES for 4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane is C=C1C(C)OCC1C(C)(C)OC.
What is the InChIKey of 4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane?
The InChIKey is QCHBBNVFJNNKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-8(2)12-6-9(7)10(3,4)11-5/h8-9H,1,6H2,2-5H3.
What are the key properties of 4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane?
4-(2-methoxypropan-2-yl)-2-methyl-3-methylideneoxolane has a molecular weight of 170.25 g/mol, XLogP of 2.00, 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-methyl-3-methylideneoxolane is sourced from PubChem (CID 102462466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).