(3R)-1-bromo-3,11-dimethyldodecane

C14H29Br — CID 118054379

IUPAC(3R)-1-bromo-3,11-dimethyldodecane
SMILESCC(C)CCCCCCC[C@@H](C)CCBr
InChIInChI=1S/C14H29Br/c1-13(2)9-7-5-4-6-8-10-14(3)11-12-15/h13-14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyFCCRKZVRRSCSTH-CQSZACIVSA-N
MW277.29 g/mol
LogP5.79
Rot. Bonds10

About (3R)-1-bromo-3,11-dimethyldodecane

(3R)-1-bromo-3,11-dimethyldodecane (PubChem CID 118054379) has the molecular formula C14H29Br and a molecular weight of 277.29 g/mol. Its IUPAC name is (3R)-1-bromo-3,11-dimethyldodecane.

Molecular Properties

Compound Name(3R)-1-bromo-3,11-dimethyldodecane
PubChem CID118054379
Molecular FormulaC14H29Br
Molecular Weight277.29 g/mol
Exact Mass276.15
IUPAC Name(3R)-1-bromo-3,11-dimethyldodecane
SMILESCC(C)CCCCCCC[C@@H](C)CCBr
InChIInChI=1S/C14H29Br/c1-13(2)9-7-5-4-6-8-10-14(3)11-12-15/h13-14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyFCCRKZVRRSCSTH-CQSZACIVSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.29
LogP ≤ 55.79
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'}

Analyze (3R)-1-bromo-3,11-dimethyldodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-bromo-3-methyltridecane
CID 154310087
1-bromo-20-methylhenicosane
CID 10982010
1-bromo-11-methyldodecane
CID 15569727
(7R)-9-bromo-7-methylnonan-1-ol
CID 139766854
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,44-dimethyltripentacontane
CID 123367078
2,11,23-trimethylpentacosane
CID 123728262
2,10,16-trimethyloctacosane
CID 91748811
2,8-dimethylhexacosane
CID 91748840
2,6-dimethyltridecane
CID 524061
2,4,10,15,19,23-hexamethyltetracosane
CID 71327414

Frequently Asked Questions

What is the IUPAC name of (3R)-1-bromo-3,11-dimethyldodecane?
The IUPAC name of (3R)-1-bromo-3,11-dimethyldodecane (CID 118054379) is (3R)-1-bromo-3,11-dimethyldodecane.
What is the SMILES notation for (3R)-1-bromo-3,11-dimethyldodecane?
The canonical SMILES for (3R)-1-bromo-3,11-dimethyldodecane is CC(C)CCCCCCC[C@@H](C)CCBr.
What is the InChIKey of (3R)-1-bromo-3,11-dimethyldodecane?
The InChIKey is FCCRKZVRRSCSTH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H29Br/c1-13(2)9-7-5-4-6-8-10-14(3)11-12-15/h13-14H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-1-bromo-3,11-dimethyldodecane?
(3R)-1-bromo-3,11-dimethyldodecane has a molecular weight of 277.29 g/mol, XLogP of 5.79, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-bromo-3,11-dimethyldodecane is sourced from PubChem (CID 118054379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).