1,5-dibromo-3-(2-bromoethyl)-3-methylpentane

C8H15Br3 — CID 13088376

IUPAC1,5-dibromo-3-(2-bromoethyl)-3-methylpentane
SMILESCC(CCBr)(CCBr)CCBr
InChIInChI=1S/C8H15Br3/c1-8(2-5-9,3-6-10)4-7-11/h2-7H2,1H3
InChIKeyYXYXLAULVISQMQ-UHFFFAOYSA-N
MW350.92 g/mol
LogP4.35
Rot. Bonds6

About 1,5-dibromo-3-(2-bromoethyl)-3-methylpentane

1,5-dibromo-3-(2-bromoethyl)-3-methylpentane (PubChem CID 13088376) has the molecular formula C8H15Br3 and a molecular weight of 350.92 g/mol. Its IUPAC name is 1,5-dibromo-3-(2-bromoethyl)-3-methylpentane.

Molecular Properties

Compound Name1,5-dibromo-3-(2-bromoethyl)-3-methylpentane
PubChem CID13088376
Molecular FormulaC8H15Br3
Molecular Weight350.92 g/mol
Exact Mass347.87
IUPAC Name1,5-dibromo-3-(2-bromoethyl)-3-methylpentane
SMILESCC(CCBr)(CCBr)CCBr
InChIInChI=1S/C8H15Br3/c1-8(2-5-9,3-6-10)4-7-11/h2-7H2,1H3
InChIKeyYXYXLAULVISQMQ-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 54.35
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

1,5-dibromo-3,3-dimethylpentane
CID 12842710
azane;1-bromo-3,3-diethylpentane
CID 174530333
4-(bromomethyl)-4-methylnonane
CID 66048915
4-(2-chloroethyl)-4-methylheptane
CID 174403008
1-bromopentane-3,3-diol
CID 141205989
1,5-dibromo-2,2-dimethylpentane
CID 121375961
4-methyl-4-propylnonane
CID 54241684
1-bromo-4-fluoro-4-methylpentane
CID 19966831
1-bromo-7,7-dimethyloctane
CID 18985391
1-bromo-3-chloro-3-nitrobutane
CID 12512624
1-bromo-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 129235269
CID 87453461
CID 87453461

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-(2-bromoethyl)-3-methylpentane?
The IUPAC name of 1,5-dibromo-3-(2-bromoethyl)-3-methylpentane (CID 13088376) is 1,5-dibromo-3-(2-bromoethyl)-3-methylpentane.
What is the SMILES notation for 1,5-dibromo-3-(2-bromoethyl)-3-methylpentane?
The canonical SMILES for 1,5-dibromo-3-(2-bromoethyl)-3-methylpentane is CC(CCBr)(CCBr)CCBr.
What is the InChIKey of 1,5-dibromo-3-(2-bromoethyl)-3-methylpentane?
The InChIKey is YXYXLAULVISQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br3/c1-8(2-5-9,3-6-10)4-7-11/h2-7H2,1H3.
What are the key properties of 1,5-dibromo-3-(2-bromoethyl)-3-methylpentane?
1,5-dibromo-3-(2-bromoethyl)-3-methylpentane has a molecular weight of 350.92 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-(2-bromoethyl)-3-methylpentane is sourced from PubChem (CID 13088376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).