1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C14H18Br2 — CID 13022289

IUPAC1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESBrC12CC3C4CC5CC3C(C1)C(Br)(C5)C4C2
InChIInChI=1S/C14H18Br2/c15-13-4-10-8-1-7-2-9(10)12(6-13)14(16,3-7)11(8)5-13/h7-12H,1-6H2
InChIKeyUTLFJAWCMSDMJE-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.36
Rot. Bonds

About 1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 13022289) has the molecular formula C14H18Br2 and a molecular weight of 346.11 g/mol. Its IUPAC name is 1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID13022289
Molecular FormulaC14H18Br2
Molecular Weight346.11 g/mol
Exact Mass343.98
IUPAC Name1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESBrC12CC3C4CC5CC3C(C1)C(Br)(C5)C4C2
InChIInChI=1S/C14H18Br2/c15-13-4-10-8-1-7-2-9(10)12(6-13)14(16,3-7)11(8)5-13/h7-12H,1-6H2
InChIKeyUTLFJAWCMSDMJE-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.36
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 1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 13022289) is 1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is BrC12CC3C4CC5CC3C(C1)C(Br)(C5)C4C2.
What is the InChIKey of 1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is UTLFJAWCMSDMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2/c15-13-4-10-8-1-7-2-9(10)12(6-13)14(16,3-7)11(8)5-13/h7-12H,1-6H2.
What are the key properties of 1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 346.11 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 13022289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).