14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene

C14H17Br — CID 57025847

IUPAC14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene
SMILESBrC1C2CCC34C5C=CC(C5)C3C1CC24
InChIInChI=1S/C14H17Br/c15-13-9-3-4-14-8-2-1-7(5-8)12(14)10(13)6-11(9)14/h1-2,7-13H,3-6H2
InChIKeyTUSTZEYSMDFYDQ-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.62
Rot. Bonds

About 14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene

14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene (PubChem CID 57025847) has the molecular formula C14H17Br and a molecular weight of 265.19 g/mol. Its IUPAC name is 14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene.

Molecular Properties

Compound Name14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene
PubChem CID57025847
Molecular FormulaC14H17Br
Molecular Weight265.19 g/mol
Exact Mass264.05
IUPAC Name14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene
SMILESBrC1C2CCC34C5C=CC(C5)C3C1CC24
InChIInChI=1S/C14H17Br/c15-13-9-3-4-14-8-2-1-7(5-8)12(14)10(13)6-11(9)14/h1-2,7-13H,3-6H2
InChIKeyTUSTZEYSMDFYDQ-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.62
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

14-fluoropentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene
CID 57039976
14-methylpentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene
CID 57275420
(3S,5S)-3,5-dibromocyclopentene
CID 101354603
2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylsilane
CID 152617048
2-tetracyclo[6.2.1.13,6.02,7]dodec-4-enylmethanol
CID 141120203
(1S,4S,6R,9R)-5,10-dibromotricyclo[7.1.0.04,6]decane
CID 102446980
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
2-methyl-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 174169269
(1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 100922080
1-bromo-9-(furan-2-yl)tricyclo[4.2.1.12,5]dec-3-en-9-ol
CID 72833829
2-(6-tetracyclo[7.2.1.02,4.02,8]dodec-10-enyl)acetic acid
CID 139988414
CID 91495673
CID 91495673

Frequently Asked Questions

What is the IUPAC name of 14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene?
The IUPAC name of 14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene (CID 57025847) is 14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene.
What is the SMILES notation for 14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene?
The canonical SMILES for 14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene is BrC1C2CCC34C5C=CC(C5)C3C1CC24.
What is the InChIKey of 14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene?
The InChIKey is TUSTZEYSMDFYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br/c15-13-9-3-4-14-8-2-1-7(5-8)12(14)10(13)6-11(9)14/h1-2,7-13H,3-6H2.
What are the key properties of 14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene?
14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene has a molecular weight of 265.19 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-bromopentacyclo[8.2.1.15,8.02,6.02,9]tetradec-11-ene is sourced from PubChem (CID 57025847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).