1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C14H18Br2 — CID 13022288

IUPAC1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESBrC12CC3CC4C1CC1CC2C(C3)C4(Br)C1
InChIInChI=1S/C14H18Br2/c15-13-6-8-3-10-9(13)1-7-2-11(13)12(4-8)14(10,16)5-7/h7-12H,1-6H2
InChIKeyFVQAVHZIOXJOLU-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.36
Rot. Bonds

About 1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 13022288) has the molecular formula C14H18Br2 and a molecular weight of 346.11 g/mol. Its IUPAC name is 1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID13022288
Molecular FormulaC14H18Br2
Molecular Weight346.11 g/mol
Exact Mass343.98
IUPAC Name1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESBrC12CC3CC4C1CC1CC2C(C3)C4(Br)C1
InChIInChI=1S/C14H18Br2/c15-13-6-8-3-10-9(13)1-7-2-11(13)12(4-8)14(10,16)5-7/h7-12H,1-6H2
InChIKeyFVQAVHZIOXJOLU-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 1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 13022288) is 1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is BrC12CC3CC4C1CC1CC2C(C3)C4(Br)C1.
What is the InChIKey of 1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is FVQAVHZIOXJOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2/c15-13-6-8-3-10-9(13)1-7-2-11(13)12(4-8)14(10,16)5-7/h7-12H,1-6H2.
What are the key properties of 1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
1,6-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 1,6-dibromopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 13022288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).