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

C13H26O2 — CID 166501006

IUPAC4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane
SMILESCC(C)C1(C(C)C)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H26O2/c1-9(2)13(10(3)4)14-11(5,6)12(7,8)15-13/h9-10H,1-8H3
InChIKeyAAJYUUVERTUNFA-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.60
Rot. Bonds2

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

4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane (PubChem CID 166501006) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane
PubChem CID166501006
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane
SMILESCC(C)C1(C(C)C)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H26O2/c1-9(2)13(10(3)4)14-11(5,6)12(7,8)15-13/h9-10H,1-8H3
InChIKeyAAJYUUVERTUNFA-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane?
The IUPAC name of 4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane (CID 166501006) is 4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane is CC(C)C1(C(C)C)OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane?
The InChIKey is AAJYUUVERTUNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-9(2)13(10(3)4)14-11(5,6)12(7,8)15-13/h9-10H,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane?
4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane has a molecular weight of 214.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2,2-di(propan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 166501006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).