(14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene

C22H15Br3 — CID 134866266

IUPAC(14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
SMILESBrCc1ccc(C(Br)Br)c2c1-c1ccccc1/C=C\c1ccccc1-2
InChIInChI=1S/C22H15Br3/c23-13-16-11-12-19(22(24)25)21-18-8-4-2-6-15(18)10-9-14-5-1-3-7-17(14)20(16)21/h1-12,22H,13H2/b10-9-,14-9-,15-10-,20-17-,21-18-
InChIKeyRGCQFSKBJDFNCG-AIXWJNITSA-N
MW519.07 g/mol
LogP8.19
Rot. Bonds2

About (14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene

(14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene (PubChem CID 134866266) has the molecular formula C22H15Br3 and a molecular weight of 519.07 g/mol. Its IUPAC name is (14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene.

Molecular Properties

Compound Name(14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
PubChem CID134866266
Molecular FormulaC22H15Br3
Molecular Weight519.07 g/mol
Exact Mass515.87
IUPAC Name(14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
SMILESBrCc1ccc(C(Br)Br)c2c1-c1ccccc1/C=C\c1ccccc1-2
InChIInChI=1S/C22H15Br3/c23-13-16-11-12-19(22(24)25)21-18-8-4-2-6-15(18)10-9-14-5-1-3-7-17(14)20(16)21/h1-12,22H,13H2/b10-9-,14-9-,15-10-,20-17-,21-18-
InChIKeyRGCQFSKBJDFNCG-AIXWJNITSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.07
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The IUPAC name of (14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene (CID 134866266) is (14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene.
What is the SMILES notation for (14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The canonical SMILES for (14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene is BrCc1ccc(C(Br)Br)c2c1-c1ccccc1/C=C\c1ccccc1-2.
What is the InChIKey of (14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
The InChIKey is RGCQFSKBJDFNCG-AIXWJNITSA-N. The full InChI is InChI=1S/C22H15Br3/c23-13-16-11-12-19(22(24)25)21-18-8-4-2-6-15(18)10-9-14-5-1-3-7-17(14)20(16)21/h1-12,22H,13H2/b10-9-,14-9-,15-10-,20-17-,21-18-.
What are the key properties of (14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene?
(14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene has a molecular weight of 519.07 g/mol, XLogP of 8.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (14Z)-3-(bromomethyl)-6-(dibromomethyl)tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene is sourced from PubChem (CID 134866266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).