14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

C22H17Br — CID 18917166

IUPAC14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESBrCCC=C1c2ccccc2-c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17Br/c23-15-7-14-22-20-12-5-3-10-18(20)16-8-1-2-9-17(16)19-11-4-6-13-21(19)22/h1-6,8-14H,7,15H2
InChIKeyMNZBKXFQFSPVHK-UHFFFAOYSA-N
MW361.28 g/mol
LogP6.55
Rot. Bonds2

About 14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (PubChem CID 18917166) has the molecular formula C22H17Br and a molecular weight of 361.28 g/mol. Its IUPAC name is 14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
PubChem CID18917166
Molecular FormulaC22H17Br
Molecular Weight361.28 g/mol
Exact Mass360.05
IUPAC Name14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESBrCCC=C1c2ccccc2-c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17Br/c23-15-7-14-22-20-12-5-3-10-18(20)16-8-1-2-9-17(16)19-11-4-6-13-21(19)22/h1-6,8-14H,7,15H2
InChIKeyMNZBKXFQFSPVHK-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.28
LogP ≤ 56.55
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 14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The IUPAC name of 14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (CID 18917166) is 14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.
What is the SMILES notation for 14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The canonical SMILES for 14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is BrCCC=C1c2ccccc2-c2ccccc2-c2ccccc21.
What is the InChIKey of 14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The InChIKey is MNZBKXFQFSPVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Br/c23-15-7-14-22-20-12-5-3-10-18(20)16-8-1-2-9-17(16)19-11-4-6-13-21(19)22/h1-6,8-14H,7,15H2.
What are the key properties of 14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene has a molecular weight of 361.28 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(3-bromopropylidene)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is sourced from PubChem (CID 18917166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).