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

C9H18O2 — CID 13072632

IUPAC4,5-di(propan-2-yl)-1,3-dioxolane
SMILESCC(C)C1OCOC1C(C)C
InChIInChI=1S/C9H18O2/c1-6(2)8-9(7(3)4)11-5-10-8/h6-9H,5H2,1-4H3
InChIKeyXEKWWMZZEZZTIN-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.04
Rot. Bonds2

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

4,5-di(propan-2-yl)-1,3-dioxolane (PubChem CID 13072632) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-1,3-dioxolane
PubChem CID13072632
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4,5-di(propan-2-yl)-1,3-dioxolane
SMILESCC(C)C1OCOC1C(C)C
InChIInChI=1S/C9H18O2/c1-6(2)8-9(7(3)4)11-5-10-8/h6-9H,5H2,1-4H3
InChIKeyXEKWWMZZEZZTIN-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-1,3-dioxolane?
The IUPAC name of 4,5-di(propan-2-yl)-1,3-dioxolane (CID 13072632) is 4,5-di(propan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 4,5-di(propan-2-yl)-1,3-dioxolane?
The canonical SMILES for 4,5-di(propan-2-yl)-1,3-dioxolane is CC(C)C1OCOC1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-1,3-dioxolane?
The InChIKey is XEKWWMZZEZZTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-6(2)8-9(7(3)4)11-5-10-8/h6-9H,5H2,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-1,3-dioxolane?
4,5-di(propan-2-yl)-1,3-dioxolane has a molecular weight of 158.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 13072632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).