1-bromo-3,7,11,15-tetramethylhexadecane

C20H41Br — CID 10808570

IUPAC1-bromo-3,7,11,15-tetramethylhexadecane
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCBr
InChIInChI=1S/C20H41Br/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-20H,6-16H2,1-5H3
InChIKeyDNKBEUKCVDMKFH-UHFFFAOYSA-N
MW361.45 g/mol
LogP7.85
Rot. Bonds14

About 1-bromo-3,7,11,15-tetramethylhexadecane

1-bromo-3,7,11,15-tetramethylhexadecane (PubChem CID 10808570) has the molecular formula C20H41Br and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-bromo-3,7,11,15-tetramethylhexadecane.

Molecular Properties

Compound Name1-bromo-3,7,11,15-tetramethylhexadecane
PubChem CID10808570
Molecular FormulaC20H41Br
Molecular Weight361.45 g/mol
Exact Mass360.24
IUPAC Name1-bromo-3,7,11,15-tetramethylhexadecane
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCBr
InChIInChI=1S/C20H41Br/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-20H,6-16H2,1-5H3
InChIKeyDNKBEUKCVDMKFH-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 57.85
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-bromo-3,7,11,15-tetramethylhexadecane?
The IUPAC name of 1-bromo-3,7,11,15-tetramethylhexadecane (CID 10808570) is 1-bromo-3,7,11,15-tetramethylhexadecane.
What is the SMILES notation for 1-bromo-3,7,11,15-tetramethylhexadecane?
The canonical SMILES for 1-bromo-3,7,11,15-tetramethylhexadecane is CC(C)CCCC(C)CCCC(C)CCCC(C)CCBr.
What is the InChIKey of 1-bromo-3,7,11,15-tetramethylhexadecane?
The InChIKey is DNKBEUKCVDMKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41Br/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-20H,6-16H2,1-5H3.
What are the key properties of 1-bromo-3,7,11,15-tetramethylhexadecane?
1-bromo-3,7,11,15-tetramethylhexadecane has a molecular weight of 361.45 g/mol, XLogP of 7.85, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,7,11,15-tetramethylhexadecane is sourced from PubChem (CID 10808570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).