2-butyl-2-(3-chloropropyl)-1,3-dioxolane

C10H19ClO2 — CID 177295352

IUPAC2-butyl-2-(3-chloropropyl)-1,3-dioxolane
SMILESCCCCC1(CCCCl)OCCO1
InChIInChI=1S/C10H19ClO2/c1-2-3-5-10(6-4-7-11)12-8-9-13-10/h2-9H2,1H3
InChIKeyYJMNRHIWRNEMAH-UHFFFAOYSA-N
MW206.71 g/mol
LogP2.94
Rot. Bonds6

About 2-butyl-2-(3-chloropropyl)-1,3-dioxolane

2-butyl-2-(3-chloropropyl)-1,3-dioxolane (PubChem CID 177295352) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is 2-butyl-2-(3-chloropropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-butyl-2-(3-chloropropyl)-1,3-dioxolane
PubChem CID177295352
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name2-butyl-2-(3-chloropropyl)-1,3-dioxolane
SMILESCCCCC1(CCCCl)OCCO1
InChIInChI=1S/C10H19ClO2/c1-2-3-5-10(6-4-7-11)12-8-9-13-10/h2-9H2,1H3
InChIKeyYJMNRHIWRNEMAH-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-(3-chloropropyl)-1,3-dioxolane?
The IUPAC name of 2-butyl-2-(3-chloropropyl)-1,3-dioxolane (CID 177295352) is 2-butyl-2-(3-chloropropyl)-1,3-dioxolane.
What is the SMILES notation for 2-butyl-2-(3-chloropropyl)-1,3-dioxolane?
The canonical SMILES for 2-butyl-2-(3-chloropropyl)-1,3-dioxolane is CCCCC1(CCCCl)OCCO1.
What is the InChIKey of 2-butyl-2-(3-chloropropyl)-1,3-dioxolane?
The InChIKey is YJMNRHIWRNEMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-2-3-5-10(6-4-7-11)12-8-9-13-10/h2-9H2,1H3.
What are the key properties of 2-butyl-2-(3-chloropropyl)-1,3-dioxolane?
2-butyl-2-(3-chloropropyl)-1,3-dioxolane has a molecular weight of 206.71 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(3-chloropropyl)-1,3-dioxolane is sourced from PubChem (CID 177295352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).