2-bromo-3-propan-2-ylhexane

C9H19Br — CID 63472075

IUPAC2-bromo-3-propan-2-ylhexane
SMILESCCCC(C(C)C)C(C)Br
InChIInChI=1S/C9H19Br/c1-5-6-9(7(2)3)8(4)10/h7-9H,5-6H2,1-4H3
InChIKeyPHBDTWSWDASCFA-UHFFFAOYSA-N
MW207.15 g/mol
LogP3.84
Rot. Bonds4

About 2-bromo-3-propan-2-ylhexane

2-bromo-3-propan-2-ylhexane (PubChem CID 63472075) has the molecular formula C9H19Br and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-bromo-3-propan-2-ylhexane.

Molecular Properties

Compound Name2-bromo-3-propan-2-ylhexane
PubChem CID63472075
Molecular FormulaC9H19Br
Molecular Weight207.15 g/mol
Exact Mass206.07
IUPAC Name2-bromo-3-propan-2-ylhexane
SMILESCCCC(C(C)C)C(C)Br
InChIInChI=1S/C9H19Br/c1-5-6-9(7(2)3)8(4)10/h7-9H,5-6H2,1-4H3
InChIKeyPHBDTWSWDASCFA-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 53.84
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

(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
4-methanidyl-5-propan-2-yloctane
CID 90920919
5-propan-2-yloctan-4-ol
CID 23385171
(4S,5R)-5-propan-2-yloctan-4-ol
CID 59911289
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
(3S)-4-propan-2-ylheptan-3-ol
CID 59039542
4-propan-2-yl-5-propylnonane
CID 54297700
3-bromo-2,4-dimethylheptane
CID 79298351
4-bromo-2,3-dimethylheptane
CID 83051461
2-bromo-3-iodohexane
CID 54541295
3,3,4-trimethyl-5-propan-2-yloctane
CID 57492714
5-methyl-4-propan-2-yltetradecane
CID 123996280

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-propan-2-ylhexane?
The IUPAC name of 2-bromo-3-propan-2-ylhexane (CID 63472075) is 2-bromo-3-propan-2-ylhexane.
What is the SMILES notation for 2-bromo-3-propan-2-ylhexane?
The canonical SMILES for 2-bromo-3-propan-2-ylhexane is CCCC(C(C)C)C(C)Br.
What is the InChIKey of 2-bromo-3-propan-2-ylhexane?
The InChIKey is PHBDTWSWDASCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Br/c1-5-6-9(7(2)3)8(4)10/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-bromo-3-propan-2-ylhexane?
2-bromo-3-propan-2-ylhexane has a molecular weight of 207.15 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-propan-2-ylhexane is sourced from PubChem (CID 63472075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).