2,4,4,5,5-pentamethyl-1,3-dioxolane

C8H16O2 — CID 12636621

IUPAC2,4,4,5,5-pentamethyl-1,3-dioxolane
SMILESCC1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H16O2/c1-6-9-7(2,3)8(4,5)10-6/h6H,1-5H3
InChIKeyQVHATYNRLSVGKG-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.94
Rot. Bonds

About 2,4,4,5,5-pentamethyl-1,3-dioxolane

2,4,4,5,5-pentamethyl-1,3-dioxolane (PubChem CID 12636621) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2,4,4,5,5-pentamethyl-1,3-dioxolane.

Molecular Properties

Compound Name2,4,4,5,5-pentamethyl-1,3-dioxolane
PubChem CID12636621
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2,4,4,5,5-pentamethyl-1,3-dioxolane
SMILESCC1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H16O2/c1-6-9-7(2,3)8(4,5)10-6/h6H,1-5H3
InChIKeyQVHATYNRLSVGKG-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5-pentamethyl-1,3-dioxolane?
The IUPAC name of 2,4,4,5,5-pentamethyl-1,3-dioxolane (CID 12636621) is 2,4,4,5,5-pentamethyl-1,3-dioxolane.
What is the SMILES notation for 2,4,4,5,5-pentamethyl-1,3-dioxolane?
The canonical SMILES for 2,4,4,5,5-pentamethyl-1,3-dioxolane is CC1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2,4,4,5,5-pentamethyl-1,3-dioxolane?
The InChIKey is QVHATYNRLSVGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-9-7(2,3)8(4,5)10-6/h6H,1-5H3.
What are the key properties of 2,4,4,5,5-pentamethyl-1,3-dioxolane?
2,4,4,5,5-pentamethyl-1,3-dioxolane has a molecular weight of 144.21 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5-pentamethyl-1,3-dioxolane is sourced from PubChem (CID 12636621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).