2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane

C9H18O2 — CID 22943596

IUPAC2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane
SMILESCC(C)(C)CC1(C)OCCO1
InChIInChI=1S/C9H18O2/c1-8(2,3)7-9(4)10-5-6-11-9/h5-7H2,1-4H3
InChIKeyCDXYAMXCKKBBQA-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.19
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane

2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane (PubChem CID 22943596) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane
PubChem CID22943596
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane
SMILESCC(C)(C)CC1(C)OCCO1
InChIInChI=1S/C9H18O2/c1-8(2,3)7-9(4)10-5-6-11-9/h5-7H2,1-4H3
InChIKeyCDXYAMXCKKBBQA-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane (CID 22943596) is 2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane is CC(C)(C)CC1(C)OCCO1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane?
The InChIKey is CDXYAMXCKKBBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(2,3)7-9(4)10-5-6-11-9/h5-7H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane?
2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane has a molecular weight of 158.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 22943596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).