4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C16H23Br — CID 58755434

IUPAC4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC12CC3CC4C1CC1(Br)CC2C(C3)C4(C)C1
InChIInChI=1S/C16H23Br/c1-14-5-9-3-10-12(14)6-16(17)7-13(14)11(4-9)15(10,2)8-16/h9-13H,3-8H2,1-2H3
InChIKeyZCBOYSHRGWLCMB-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.62
Rot. Bonds

About 4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 58755434) has the molecular formula C16H23Br and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID58755434
Molecular FormulaC16H23Br
Molecular Weight295.26 g/mol
Exact Mass294.10
IUPAC Name4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC12CC3CC4C1CC1(Br)CC2C(C3)C4(C)C1
InChIInChI=1S/C16H23Br/c1-14-5-9-3-10-12(14)6-16(17)7-13(14)11(4-9)15(10,2)8-16/h9-13H,3-8H2,1-2H3
InChIKeyZCBOYSHRGWLCMB-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.62
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 4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 58755434) is 4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is CC12CC3CC4C1CC1(Br)CC2C(C3)C4(C)C1.
What is the InChIKey of 4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is ZCBOYSHRGWLCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br/c1-14-5-9-3-10-12(14)6-16(17)7-13(14)11(4-9)15(10,2)8-16/h9-13H,3-8H2,1-2H3.
What are the key properties of 4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 295.26 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,6-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 58755434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).