7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]

C12H19BrO2 — CID 2778023

IUPAC7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
SMILESCC1(CBr)C2CCC1(C)C1(C2)OCCO1
InChIInChI=1S/C12H19BrO2/c1-10(8-13)9-3-4-11(10,2)12(7-9)14-5-6-15-12/h9H,3-8H2,1-2H3
InChIKeyZFQSVMJONXGVIO-UHFFFAOYSA-N
MW275.19 g/mol
LogP2.95
Rot. Bonds1

About 7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]

7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] (PubChem CID 2778023) has the molecular formula C12H19BrO2 and a molecular weight of 275.19 g/mol. Its IUPAC name is 7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
PubChem CID2778023
Molecular FormulaC12H19BrO2
Molecular Weight275.19 g/mol
Exact Mass274.06
IUPAC Name7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
SMILESCC1(CBr)C2CCC1(C)C1(C2)OCCO1
InChIInChI=1S/C12H19BrO2/c1-10(8-13)9-3-4-11(10,2)12(7-9)14-5-6-15-12/h9H,3-8H2,1-2H3
InChIKeyZFQSVMJONXGVIO-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 52.95
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 7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The IUPAC name of 7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] (CID 2778023) is 7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane].
What is the SMILES notation for 7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The canonical SMILES for 7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] is CC1(CBr)C2CCC1(C)C1(C2)OCCO1.
What is the InChIKey of 7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The InChIKey is ZFQSVMJONXGVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrO2/c1-10(8-13)9-3-4-11(10,2)12(7-9)14-5-6-15-12/h9H,3-8H2,1-2H3.
What are the key properties of 7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] has a molecular weight of 275.19 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 2778023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).