9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene

C22H32Br2 — CID 101403317

IUPAC9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene
SMILESBrC1=C(CCC2=C(Br)C3CCCCCCC23)C2CCCCCCC12
InChIInChI=1S/C22H32Br2/c23-21-17-11-7-3-1-5-9-15(17)19(21)13-14-20-16-10-6-2-4-8-12-18(16)22(20)24/h15-18H,1-14H2
InChIKeyKHGGPTONIMSRIV-UHFFFAOYSA-N
MW456.31 g/mol
LogP8.27
Rot. Bonds3

About 9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene

9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene (PubChem CID 101403317) has the molecular formula C22H32Br2 and a molecular weight of 456.31 g/mol. Its IUPAC name is 9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene.

Molecular Properties

Compound Name9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene
PubChem CID101403317
Molecular FormulaC22H32Br2
Molecular Weight456.31 g/mol
Exact Mass454.09
IUPAC Name9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene
SMILESBrC1=C(CCC2=C(Br)C3CCCCCCC23)C2CCCCCCC12
InChIInChI=1S/C22H32Br2/c23-21-17-11-7-3-1-5-9-15(17)19(21)13-14-20-16-10-6-2-4-8-12-18(16)22(20)24/h15-18H,1-14H2
InChIKeyKHGGPTONIMSRIV-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.31
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene?
The IUPAC name of 9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene (CID 101403317) is 9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene.
What is the SMILES notation for 9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene?
The canonical SMILES for 9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene is BrC1=C(CCC2=C(Br)C3CCCCCCC23)C2CCCCCCC12.
What is the InChIKey of 9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene?
The InChIKey is KHGGPTONIMSRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32Br2/c23-21-17-11-7-3-1-5-9-15(17)19(21)13-14-20-16-10-6-2-4-8-12-18(16)22(20)24/h15-18H,1-14H2.
What are the key properties of 9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene?
9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene has a molecular weight of 456.31 g/mol, XLogP of 8.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene is sourced from PubChem (CID 101403317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).