2-(3-methylbutyl)-1,3-dioxolane

C8H16O2 — CID 10920635

IUPAC2-(3-methylbutyl)-1,3-dioxolane
SMILESCC(C)CCC1OCCO1
InChIInChI=1S/C8H16O2/c1-7(2)3-4-8-9-5-6-10-8/h7-8H,3-6H2,1-2H3
InChIKeyRBPGKJOFYZZVEX-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.80
Rot. Bonds3

About 2-(3-methylbutyl)-1,3-dioxolane

2-(3-methylbutyl)-1,3-dioxolane (PubChem CID 10920635) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(3-methylbutyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-methylbutyl)-1,3-dioxolane
PubChem CID10920635
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(3-methylbutyl)-1,3-dioxolane
SMILESCC(C)CCC1OCCO1
InChIInChI=1S/C8H16O2/c1-7(2)3-4-8-9-5-6-10-8/h7-8H,3-6H2,1-2H3
InChIKeyRBPGKJOFYZZVEX-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-1,3-dioxolane?
The IUPAC name of 2-(3-methylbutyl)-1,3-dioxolane (CID 10920635) is 2-(3-methylbutyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-methylbutyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-methylbutyl)-1,3-dioxolane is CC(C)CCC1OCCO1.
What is the InChIKey of 2-(3-methylbutyl)-1,3-dioxolane?
The InChIKey is RBPGKJOFYZZVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)3-4-8-9-5-6-10-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-1,3-dioxolane?
2-(3-methylbutyl)-1,3-dioxolane has a molecular weight of 144.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-1,3-dioxolane is sourced from PubChem (CID 10920635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).