(1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene

C10H12Br2 — CID 101344345

IUPAC(1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene
SMILESBrC1(Br)[C@@]23CC=CC[C@@]12CCC3
InChIInChI=1S/C10H12Br2/c11-10(12)8-4-1-2-5-9(8,10)7-3-6-8/h1-2H,3-7H2/t8-,9+
InChIKeyHDMXOFNREFYKDS-DTORHVGOSA-N
MW292.01 g/mol
LogP3.99
Rot. Bonds

About (1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene

(1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene (PubChem CID 101344345) has the molecular formula C10H12Br2 and a molecular weight of 292.01 g/mol. Its IUPAC name is (1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene.

Molecular Properties

Compound Name(1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene
PubChem CID101344345
Molecular FormulaC10H12Br2
Molecular Weight292.01 g/mol
Exact Mass289.93
IUPAC Name(1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene
SMILESBrC1(Br)[C@@]23CC=CC[C@@]12CCC3
InChIInChI=1S/C10H12Br2/c11-10(12)8-4-1-2-5-9(8,10)7-3-6-8/h1-2H,3-7H2/t8-,9+
InChIKeyHDMXOFNREFYKDS-DTORHVGOSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.01
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane
CID 622134
(3R,5S)-4,4,11,11-tetrabromotetracyclo[5.3.1.01,7.03,5]undecane
CID 117071048
tricyclo[4.3.3.01,6]dodec-3-ene
CID 14114531
(1S,2S,6R,8S)-12,12,13,13-tetrabromopentacyclo[6.3.1.12,6.01,8.02,6]tridecane
CID 124525820
(1R,6S,9R,11Z)-tricyclo[7.6.0.01,6]pentadeca-3,11-diene-6,9-diol
CID 139182225
4,4,13,13-tetrabromotetracyclo[5.5.1.01,7.03,5]tridecane
CID 90487319
10-bromobicyclo[4.3.1]dec-3-ene-1,6-diol
CID 71380044
(1S,3S,5S,7R)-4,4,13,13-tetrabromotetracyclo[5.5.1.01,7.03,5]tridecane
CID 98633979
(6S,10R)-6,10-bis(prop-2-enyl)spiro[4.5]dec-2-ene-6,10-diol
CID 101053785
spiro[4.6]undeca-2,8-diene
CID 123157263
spiro[4.7]dodec-2-ene
CID 173458049
spiro[4.6]undec-2-ene
CID 123632667

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene?
The IUPAC name of (1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene (CID 101344345) is (1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene.
What is the SMILES notation for (1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene?
The canonical SMILES for (1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene is BrC1(Br)[C@@]23CC=CC[C@@]12CCC3.
What is the InChIKey of (1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene?
The InChIKey is HDMXOFNREFYKDS-DTORHVGOSA-N. The full InChI is InChI=1S/C10H12Br2/c11-10(12)8-4-1-2-5-9(8,10)7-3-6-8/h1-2H,3-7H2/t8-,9+.
What are the key properties of (1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene?
(1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene has a molecular weight of 292.01 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-10,10-dibromotricyclo[4.3.1.01,6]dec-3-ene is sourced from PubChem (CID 101344345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).