(3R)-1-bromo-3-methyltridecane

C14H29Br — CID 154310087

IUPAC(3R)-1-bromo-3-methyltridecane
SMILESCCCCCCCCCC[C@@H](C)CCBr
InChIInChI=1S/C14H29Br/c1-3-4-5-6-7-8-9-10-11-14(2)12-13-15/h14H,3-13H2,1-2H3/t14-/m1/s1
InChIKeyPQFLJHCEBDACGD-CQSZACIVSA-N
MW277.29 g/mol
LogP5.94
Rot. Bonds11

About (3R)-1-bromo-3-methyltridecane

(3R)-1-bromo-3-methyltridecane (PubChem CID 154310087) has the molecular formula C14H29Br and a molecular weight of 277.29 g/mol. Its IUPAC name is (3R)-1-bromo-3-methyltridecane.

Molecular Properties

Compound Name(3R)-1-bromo-3-methyltridecane
PubChem CID154310087
Molecular FormulaC14H29Br
Molecular Weight277.29 g/mol
Exact Mass276.15
IUPAC Name(3R)-1-bromo-3-methyltridecane
SMILESCCCCCCCCCC[C@@H](C)CCBr
InChIInChI=1S/C14H29Br/c1-3-4-5-6-7-8-9-10-11-14(2)12-13-15/h14H,3-13H2,1-2H3/t14-/m1/s1
InChIKeyPQFLJHCEBDACGD-CQSZACIVSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.29
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-methyldecane
CID 14069922
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107
7,13-dimethylnonatriacontane
CID 91752073
7,13-dimethylhexacosane
CID 91751102
15-methylhentetracontane
CID 56936162
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480

Frequently Asked Questions

What is the IUPAC name of (3R)-1-bromo-3-methyltridecane?
The IUPAC name of (3R)-1-bromo-3-methyltridecane (CID 154310087) is (3R)-1-bromo-3-methyltridecane.
What is the SMILES notation for (3R)-1-bromo-3-methyltridecane?
The canonical SMILES for (3R)-1-bromo-3-methyltridecane is CCCCCCCCCC[C@@H](C)CCBr.
What is the InChIKey of (3R)-1-bromo-3-methyltridecane?
The InChIKey is PQFLJHCEBDACGD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H29Br/c1-3-4-5-6-7-8-9-10-11-14(2)12-13-15/h14H,3-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1-bromo-3-methyltridecane?
(3R)-1-bromo-3-methyltridecane has a molecular weight of 277.29 g/mol, XLogP of 5.94, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-bromo-3-methyltridecane is sourced from PubChem (CID 154310087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).