4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane

C10H20O2 — CID 14582302

IUPAC4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC(C)(C)CC1COC(C)(C)O1
InChIInChI=1S/C10H20O2/c1-9(2,3)6-8-7-11-10(4,5)12-8/h8H,6-7H2,1-5H3
InChIKeyQXCNYRRHPYSFHD-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.57
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane

4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 14582302) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID14582302
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC(C)(C)CC1COC(C)(C)O1
InChIInChI=1S/C10H20O2/c1-9(2,3)6-8-7-11-10(4,5)12-8/h8H,6-7H2,1-5H3
InChIKeyQXCNYRRHPYSFHD-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane (CID 14582302) is 4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane is CC(C)(C)CC1COC(C)(C)O1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is QXCNYRRHPYSFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2,3)6-8-7-11-10(4,5)12-8/h8H,6-7H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane?
4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 172.27 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 14582302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).