(4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane

C11H18Br2 — CID 14607137

IUPAC(4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
SMILESCC(C)[C@@H]1CCC2(C)C(C1)C2(Br)Br
InChIInChI=1S/C11H18Br2/c1-7(2)8-4-5-10(3)9(6-8)11(10,12)13/h7-9H,4-6H2,1-3H3/t8-,9?,10?/m1/s1
InChIKeyJTXHYNQBBIJBKM-XNWIYYODSA-N
MW310.07 g/mol
LogP4.56
Rot. Bonds1

About (4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane

(4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane (PubChem CID 14607137) has the molecular formula C11H18Br2 and a molecular weight of 310.07 g/mol. Its IUPAC name is (4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
PubChem CID14607137
Molecular FormulaC11H18Br2
Molecular Weight310.07 g/mol
Exact Mass307.98
IUPAC Name(4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
SMILESCC(C)[C@@H]1CCC2(C)C(C1)C2(Br)Br
InChIInChI=1S/C11H18Br2/c1-7(2)8-4-5-10(3)9(6-8)11(10,12)13/h7-9H,4-6H2,1-3H3/t8-,9?,10?/m1/s1
InChIKeyJTXHYNQBBIJBKM-XNWIYYODSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 54.56
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

1-bromo-1-methyl-4-propan-2-ylcyclohexane
CID 90475813
sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate
CID 140986186
1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 15579949
(1S,4S,6R)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane
CID 91751113
trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
CID 54292427
1,1,3-trimethyl-5-propan-2-ylcycloheptane
CID 91452397
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
CID 174102089
CID 174102089
2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 130150641
(1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine
CID 131031779
(1aS,2R,2aS,4R,6aR,7S)-2,6a-dimethyl-4-propan-2-yl-1a,2a,3,4,5,6,7,7a-octahydronaphtho[2,3-b]oxirene-2,7-diol
CID 134975171

Frequently Asked Questions

What is the IUPAC name of (4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane?
The IUPAC name of (4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane (CID 14607137) is (4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane.
What is the SMILES notation for (4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane?
The canonical SMILES for (4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane is CC(C)[C@@H]1CCC2(C)C(C1)C2(Br)Br.
What is the InChIKey of (4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane?
The InChIKey is JTXHYNQBBIJBKM-XNWIYYODSA-N. The full InChI is InChI=1S/C11H18Br2/c1-7(2)8-4-5-10(3)9(6-8)11(10,12)13/h7-9H,4-6H2,1-3H3/t8-,9?,10?/m1/s1.
What are the key properties of (4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane?
(4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane has a molecular weight of 310.07 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane is sourced from PubChem (CID 14607137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).