4-bromo-5-propyloctane

C11H23Br — CID 83050425

IUPAC4-bromo-5-propyloctane
SMILESCCCC(Br)C(CCC)CCC
InChIInChI=1S/C11H23Br/c1-4-7-10(8-5-2)11(12)9-6-3/h10-11H,4-9H2,1-3H3
InChIKeyCQBYFUCBMDANTR-UHFFFAOYSA-N
MW235.21 g/mol
LogP4.77
Rot. Bonds7

About 4-bromo-5-propyloctane

4-bromo-5-propyloctane (PubChem CID 83050425) has the molecular formula C11H23Br and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-bromo-5-propyloctane.

Molecular Properties

Compound Name4-bromo-5-propyloctane
PubChem CID83050425
Molecular FormulaC11H23Br
Molecular Weight235.21 g/mol
Exact Mass234.10
IUPAC Name4-bromo-5-propyloctane
SMILESCCCC(Br)C(CCC)CCC
InChIInChI=1S/C11H23Br/c1-4-7-10(8-5-2)11(12)9-6-3/h10-11H,4-9H2,1-3H3
InChIKeyCQBYFUCBMDANTR-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-propyltridecane
CID 174956937
4-bromo-3-(bromomethyl)heptane
CID 131843184
(4S,5S)-5-bromooctan-4-ol
CID 101139699
4-bromo-2,3-dimethylheptane
CID 83051461
4,5-diethyloctane
CID 519254
azane;3-bromohexan-2-ol
CID 174944602
1-bromobutylsilane
CID 174507428
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
2-propylpentane-1,1-diol
CID 87788314
3-bromohexane
CID 18806
1-bromo-1-iodobutane
CID 22138270

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propyloctane?
The IUPAC name of 4-bromo-5-propyloctane (CID 83050425) is 4-bromo-5-propyloctane.
What is the SMILES notation for 4-bromo-5-propyloctane?
The canonical SMILES for 4-bromo-5-propyloctane is CCCC(Br)C(CCC)CCC.
What is the InChIKey of 4-bromo-5-propyloctane?
The InChIKey is CQBYFUCBMDANTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Br/c1-4-7-10(8-5-2)11(12)9-6-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-bromo-5-propyloctane?
4-bromo-5-propyloctane has a molecular weight of 235.21 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propyloctane is sourced from PubChem (CID 83050425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).