2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane

C12H12Br2 — CID 46918541

IUPAC2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane
SMILESCC1(c2ccccc2)C(Br)(Br)C12CC2
InChIInChI=1S/C12H12Br2/c1-10(9-5-3-2-4-6-9)11(7-8-11)12(10,13)14/h2-6H,7-8H2,1H3
InChIKeyAWMLDYUUDCVKOD-UHFFFAOYSA-N
MW316.04 g/mol
LogP4.22
Rot. Bonds1

About 2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane

2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane (PubChem CID 46918541) has the molecular formula C12H12Br2 and a molecular weight of 316.04 g/mol. Its IUPAC name is 2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane.

Molecular Properties

Compound Name2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane
PubChem CID46918541
Molecular FormulaC12H12Br2
Molecular Weight316.04 g/mol
Exact Mass313.93
IUPAC Name2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane
SMILESCC1(c2ccccc2)C(Br)(Br)C12CC2
InChIInChI=1S/C12H12Br2/c1-10(9-5-3-2-4-6-9)11(7-8-11)12(10,13)14/h2-6H,7-8H2,1H3
InChIKeyAWMLDYUUDCVKOD-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.04
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dibromo-1-methyl-1-(4-methylphenyl)spiro[2.2]pentane
CID 24746019
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CID 134986145
13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane
CID 102474294
(1,3-dibromo-3-methylcyclobutyl)benzene
CID 134897738
4,5-dimethyl-4-phenyl-2,3-dihydropyrrole
CID 15638958
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
methane;(1-methylcyclopentyl)benzene
CID 143499824
trimethyl-(1-phenylcyclopropyl)silane
CID 5314804
methanimine;(1-methylcyclopropyl)benzene
CID 163372964
1,1-dibromo-2,2,3-trimethyl-3-phenylindene
CID 139978488
CID 102302966
CID 102302966

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane?
The IUPAC name of 2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane (CID 46918541) is 2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane.
What is the SMILES notation for 2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane?
The canonical SMILES for 2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane is CC1(c2ccccc2)C(Br)(Br)C12CC2.
What is the InChIKey of 2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane?
The InChIKey is AWMLDYUUDCVKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2/c1-10(9-5-3-2-4-6-9)11(7-8-11)12(10,13)14/h2-6H,7-8H2,1H3.
What are the key properties of 2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane?
2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane has a molecular weight of 316.04 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-1-methyl-1-phenylspiro[2.2]pentane is sourced from PubChem (CID 46918541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).