(1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane

C10H14Br2 — CID 102446980

IUPAC(1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane
SMILESBrC1[C@H]2CC[C@@H]3C(Br)[C@@H]3CC[C@@H]12
InChIInChI=1S/C10H14Br2/c11-9-5-1-2-6-8(10(6)12)4-3-7(5)9/h5-10H,1-4H2/t5-,6-,7+,8+,9?,10?
InChIKeyKPDPRPOQGFEXEA-XKTNFCBFSA-N
MW294.03 g/mol
LogP3.58
Rot. Bonds

About (1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane

(1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane (PubChem CID 102446980) has the molecular formula C10H14Br2 and a molecular weight of 294.03 g/mol. Its IUPAC name is (1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane.

Molecular Properties

Compound Name(1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane
PubChem CID102446980
Molecular FormulaC10H14Br2
Molecular Weight294.03 g/mol
Exact Mass291.95
IUPAC Name(1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane
SMILESBrC1[C@H]2CC[C@@H]3C(Br)[C@@H]3CC[C@@H]12
InChIInChI=1S/C10H14Br2/c11-9-5-1-2-6-8(10(6)12)4-3-7(5)9/h5-10H,1-4H2/t5-,6-,7+,8+,9?,10?
InChIKeyKPDPRPOQGFEXEA-XKTNFCBFSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.03
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane?
The IUPAC name of (1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane (CID 102446980) is (1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane.
What is the SMILES notation for (1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane?
The canonical SMILES for (1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane is BrC1[C@H]2CC[C@@H]3C(Br)[C@@H]3CC[C@@H]12.
What is the InChIKey of (1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane?
The InChIKey is KPDPRPOQGFEXEA-XKTNFCBFSA-N. The full InChI is InChI=1S/C10H14Br2/c11-9-5-1-2-6-8(10(6)12)4-3-7(5)9/h5-10H,1-4H2/t5-,6-,7+,8+,9?,10?.
What are the key properties of (1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane?
(1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane has a molecular weight of 294.03 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane is sourced from PubChem (CID 102446980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).