4-methylidene-2-propan-2-yl-1,3-dioxolane

C7H12O2 — CID 12741648

IUPAC4-methylidene-2-propan-2-yl-1,3-dioxolane
SMILESC=C1COC(C(C)C)O1
InChIInChI=1S/C7H12O2/c1-5(2)7-8-4-6(3)9-7/h5,7H,3-4H2,1-2H3
InChIKeyGEVOFPITWWTAQD-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.53
Rot. Bonds1

About 4-methylidene-2-propan-2-yl-1,3-dioxolane

4-methylidene-2-propan-2-yl-1,3-dioxolane (PubChem CID 12741648) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methylidene-2-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name4-methylidene-2-propan-2-yl-1,3-dioxolane
PubChem CID12741648
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-methylidene-2-propan-2-yl-1,3-dioxolane
SMILESC=C1COC(C(C)C)O1
InChIInChI=1S/C7H12O2/c1-5(2)7-8-4-6(3)9-7/h5,7H,3-4H2,1-2H3
InChIKeyGEVOFPITWWTAQD-UHFFFAOYSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-propan-2-yl-1,3-dioxolane?
The IUPAC name of 4-methylidene-2-propan-2-yl-1,3-dioxolane (CID 12741648) is 4-methylidene-2-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 4-methylidene-2-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 4-methylidene-2-propan-2-yl-1,3-dioxolane is C=C1COC(C(C)C)O1.
What is the InChIKey of 4-methylidene-2-propan-2-yl-1,3-dioxolane?
The InChIKey is GEVOFPITWWTAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5(2)7-8-4-6(3)9-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 4-methylidene-2-propan-2-yl-1,3-dioxolane?
4-methylidene-2-propan-2-yl-1,3-dioxolane has a molecular weight of 128.17 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 12741648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).