(1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane

C8H12Br2O — CID 125035268

IUPAC(1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane
SMILESCO[C@@H]1CCC[C@H]2[C@H]1C2(Br)Br
InChIInChI=1S/C8H12Br2O/c1-11-6-4-2-3-5-7(6)8(5,9)10/h5-7H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyOLRVKYLBEIFIAW-RRKCRQDMSA-N
MW283.99 g/mol
LogP2.92
Rot. Bonds1

About (1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane

(1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane (PubChem CID 125035268) has the molecular formula C8H12Br2O and a molecular weight of 283.99 g/mol. Its IUPAC name is (1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane
PubChem CID125035268
Molecular FormulaC8H12Br2O
Molecular Weight283.99 g/mol
Exact Mass281.93
IUPAC Name(1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane
SMILESCO[C@@H]1CCC[C@H]2[C@H]1C2(Br)Br
InChIInChI=1S/C8H12Br2O/c1-11-6-4-2-3-5-7(6)8(5,9)10/h5-7H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyOLRVKYLBEIFIAW-RRKCRQDMSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.99
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,6S)-7,7-dibromo-2-methylbicyclo[4.1.0]heptane
CID 124921029
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane
CID 130587220
9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
CID 140500151
trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine
CID 129113118
4-fluoro-4-(2-methoxycyclopentyl)piperidine
CID 130587351
tris(2,6-dimethoxycyclohexyl)phosphane
CID 44558720
1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 175940017
ethane;1-methoxy-2-methylcyclopentane
CID 142110191
(1S,2S,6S)-2-bromo-6-methoxycyclohexan-1-ol
CID 130865880
1-(2-bromocyclopentyl)-2-methoxycyclohexane
CID 130586993
ethane;2-methoxycyclopentan-1-ol
CID 177178786

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane?
The IUPAC name of (1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane (CID 125035268) is (1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane?
The canonical SMILES for (1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane is CO[C@@H]1CCC[C@H]2[C@H]1C2(Br)Br.
What is the InChIKey of (1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane?
The InChIKey is OLRVKYLBEIFIAW-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H12Br2O/c1-11-6-4-2-3-5-7(6)8(5,9)10/h5-7H,2-4H2,1H3/t5-,6+,7+/m0/s1.
What are the key properties of (1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane?
(1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane has a molecular weight of 283.99 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane is sourced from PubChem (CID 125035268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).