1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]

C11H16Br2 — CID 72961616

IUPAC1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
SMILESCC1(C)C2CCC3(CC3(Br)Br)C1C2
InChIInChI=1S/C11H16Br2/c1-9(2)7-3-4-10(8(9)5-7)6-11(10,12)13/h7-8H,3-6H2,1-2H3
InChIKeyAOVPKLSTSVBBMC-UHFFFAOYSA-N
MW308.06 g/mol
LogP4.32
Rot. Bonds

About 1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]

1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane] (PubChem CID 72961616) has the molecular formula C11H16Br2 and a molecular weight of 308.06 g/mol. Its IUPAC name is 1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane].

Molecular Properties

Compound Name1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
PubChem CID72961616
Molecular FormulaC11H16Br2
Molecular Weight308.06 g/mol
Exact Mass305.96
IUPAC Name1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
SMILESCC1(C)C2CCC3(CC3(Br)Br)C1C2
InChIInChI=1S/C11H16Br2/c1-9(2)7-3-4-10(8(9)5-7)6-11(10,12)13/h7-8H,3-6H2,1-2H3
InChIKeyAOVPKLSTSVBBMC-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.06
LogP ≤ 54.32
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

(1R,5S)-1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
CID 11438240
2,6,6-trimethyl-2-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 23528933
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
(1S,5R)-2-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 59952678
2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 130151891
(1R,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
CID 3034388
(1R,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
CID 11789400
(1R,2S,5R)-2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 98059544
(1R,2R,5S)-2-butyl-6,6-dimethylbicyclo[3.1.1]heptan-2-amine
CID 129102229
1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol
CID 142311973
CID 101109810
CID 101109810

Frequently Asked Questions

What is the IUPAC name of 1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]?
The IUPAC name of 1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane] (CID 72961616) is 1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane].
What is the SMILES notation for 1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]?
The canonical SMILES for 1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane] is CC1(C)C2CCC3(CC3(Br)Br)C1C2.
What is the InChIKey of 1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]?
The InChIKey is AOVPKLSTSVBBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2/c1-9(2)7-3-4-10(8(9)5-7)6-11(10,12)13/h7-8H,3-6H2,1-2H3.
What are the key properties of 1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]?
1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane] has a molecular weight of 308.06 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane] is sourced from PubChem (CID 72961616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).