1-bromododecane;cumene

C21H37Br — CID 174305646

IUPAC1-bromododecane;cumene
SMILESCC(C)c1ccccc1.CCCCCCCCCCCCBr
InChIInChI=1S/C12H25Br.C9H12/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-8(2)9-6-4-3-5-7-9/h2-12H2,1H3;3-8H,1-2H3
InChIKeySBKQNBAJCJPFRH-UHFFFAOYSA-N
MW369.43 g/mol
LogP8.11
Rot. Bonds11

About 1-bromododecane;cumene

1-bromododecane;cumene (PubChem CID 174305646) has the molecular formula C21H37Br and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-bromododecane;cumene.

Molecular Properties

Compound Name1-bromododecane;cumene
PubChem CID174305646
Molecular FormulaC21H37Br
Molecular Weight369.43 g/mol
Exact Mass368.21
IUPAC Name1-bromododecane;cumene
SMILESCC(C)c1ccccc1.CCCCCCCCCCCCBr
InChIInChI=1S/C12H25Br.C9H12/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-8(2)9-6-4-3-5-7-9/h2-12H2,1H3;3-8H,1-2H3
InChIKeySBKQNBAJCJPFRH-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 58.11
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

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cumene;ethane
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cumene;2-methylpropane;propane
CID 158125037
cumene;ethane;bis(2-methylpropane)
CID 161044029
CID 160506105
CID 160506105
cumene
CID 161227923
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104

Frequently Asked Questions

What is the IUPAC name of 1-bromododecane;cumene?
The IUPAC name of 1-bromododecane;cumene (CID 174305646) is 1-bromododecane;cumene.
What is the SMILES notation for 1-bromododecane;cumene?
The canonical SMILES for 1-bromododecane;cumene is CC(C)c1ccccc1.CCCCCCCCCCCCBr.
What is the InChIKey of 1-bromododecane;cumene?
The InChIKey is SBKQNBAJCJPFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Br.C9H12/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-8(2)9-6-4-3-5-7-9/h2-12H2,1H3;3-8H,1-2H3.
What are the key properties of 1-bromododecane;cumene?
1-bromododecane;cumene has a molecular weight of 369.43 g/mol, XLogP of 8.11, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromododecane;cumene is sourced from PubChem (CID 174305646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).