2-(2,4,4-trimethylpentyl)-1,3-dioxolane

C11H22O2 — CID 3565903

IUPAC2-(2,4,4-trimethylpentyl)-1,3-dioxolane
SMILESCC(CC1OCCO1)CC(C)(C)C
InChIInChI=1S/C11H22O2/c1-9(8-11(2,3)4)7-10-12-5-6-13-10/h9-10H,5-8H2,1-4H3
InChIKeyAUTULYGUYGPRMN-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.82
Rot. Bonds3

About 2-(2,4,4-trimethylpentyl)-1,3-dioxolane

2-(2,4,4-trimethylpentyl)-1,3-dioxolane (PubChem CID 3565903) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(2,4,4-trimethylpentyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,4,4-trimethylpentyl)-1,3-dioxolane
PubChem CID3565903
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(2,4,4-trimethylpentyl)-1,3-dioxolane
SMILESCC(CC1OCCO1)CC(C)(C)C
InChIInChI=1S/C11H22O2/c1-9(8-11(2,3)4)7-10-12-5-6-13-10/h9-10H,5-8H2,1-4H3
InChIKeyAUTULYGUYGPRMN-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,4-trimethylpentyl)-1,3-dioxolane?
The IUPAC name of 2-(2,4,4-trimethylpentyl)-1,3-dioxolane (CID 3565903) is 2-(2,4,4-trimethylpentyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,4,4-trimethylpentyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,4,4-trimethylpentyl)-1,3-dioxolane is CC(CC1OCCO1)CC(C)(C)C.
What is the InChIKey of 2-(2,4,4-trimethylpentyl)-1,3-dioxolane?
The InChIKey is AUTULYGUYGPRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(8-11(2,3)4)7-10-12-5-6-13-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-(2,4,4-trimethylpentyl)-1,3-dioxolane?
2-(2,4,4-trimethylpentyl)-1,3-dioxolane has a molecular weight of 186.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,4-trimethylpentyl)-1,3-dioxolane is sourced from PubChem (CID 3565903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).