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

C6H12O2 — CID 13201

IUPAC2-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1OCCO1
InChIInChI=1S/C6H12O2/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H3
InChIKeySMYRHRFGKYUCFB-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.02
Rot. Bonds1

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

2-propan-2-yl-1,3-dioxolane (PubChem CID 13201) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-propan-2-yl-1,3-dioxolane
PubChem CID13201
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1OCCO1
InChIInChI=1S/C6H12O2/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H3
InChIKeySMYRHRFGKYUCFB-UHFFFAOYSA-N
XLogP1.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-dioxolane?
The IUPAC name of 2-propan-2-yl-1,3-dioxolane (CID 13201) is 2-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 2-propan-2-yl-1,3-dioxolane is CC(C)C1OCCO1.
What is the InChIKey of 2-propan-2-yl-1,3-dioxolane?
The InChIKey is SMYRHRFGKYUCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3-dioxolane?
2-propan-2-yl-1,3-dioxolane has a molecular weight of 116.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 13201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).