4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane

C10H19BrO2 — CID 13151642

IUPAC4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(CCCCCBr)O1
InChIInChI=1S/C10H19BrO2/c1-10(2)12-8-9(13-10)6-4-3-5-7-11/h9H,3-8H2,1-2H3
InChIKeyRJFLGCWNYJNCAI-UHFFFAOYSA-N
MW251.16 g/mol
LogP3.09
Rot. Bonds5

About 4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane

4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 13151642) has the molecular formula C10H19BrO2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID13151642
Molecular FormulaC10H19BrO2
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(CCCCCBr)O1
InChIInChI=1S/C10H19BrO2/c1-10(2)12-8-9(13-10)6-4-3-5-7-11/h9H,3-8H2,1-2H3
InChIKeyRJFLGCWNYJNCAI-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane (CID 13151642) is 4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)OCC(CCCCCBr)O1.
What is the InChIKey of 4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is RJFLGCWNYJNCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-10(2)12-8-9(13-10)6-4-3-5-7-11/h9H,3-8H2,1-2H3.
What are the key properties of 4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane?
4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 251.16 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 13151642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).