2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane

C11H22O2 — CID 13072638

IUPAC2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane
SMILESCC(C)C1OC(C)(C)OC1C(C)C
InChIInChI=1S/C11H22O2/c1-7(2)9-10(8(3)4)13-11(5,6)12-9/h7-10H,1-6H3
InChIKeyNYNMFBIZDGKYBJ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.82
Rot. Bonds2

About 2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane

2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane (PubChem CID 13072638) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane
PubChem CID13072638
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane
SMILESCC(C)C1OC(C)(C)OC1C(C)C
InChIInChI=1S/C11H22O2/c1-7(2)9-10(8(3)4)13-11(5,6)12-9/h7-10H,1-6H3
InChIKeyNYNMFBIZDGKYBJ-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane (CID 13072638) is 2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane is CC(C)C1OC(C)(C)OC1C(C)C.
What is the InChIKey of 2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane?
The InChIKey is NYNMFBIZDGKYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-7(2)9-10(8(3)4)13-11(5,6)12-9/h7-10H,1-6H3.
What are the key properties of 2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane?
2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane has a molecular weight of 186.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4,5-di(propan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 13072638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).