1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane

C10H16Br6O — CID 90472010

IUPAC1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane
SMILESBrCC(CBr)(CBr)COCC(CBr)(CBr)CBr
InChIInChI=1S/C10H16Br6O/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h1-8H2
InChIKeyCWXPQNWWCJJVSW-UHFFFAOYSA-N
MW631.66 g/mol
LogP5.35
Rot. Bonds10

About 1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane

1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane (PubChem CID 90472010) has the molecular formula C10H16Br6O and a molecular weight of 631.66 g/mol. Its IUPAC name is 1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane.

Molecular Properties

Compound Name1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane
PubChem CID90472010
Molecular FormulaC10H16Br6O
Molecular Weight631.66 g/mol
Exact Mass625.63
IUPAC Name1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane
SMILESBrCC(CBr)(CBr)COCC(CBr)(CBr)CBr
InChIInChI=1S/C10H16Br6O/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h1-8H2
InChIKeyCWXPQNWWCJJVSW-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.66
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane
CID 103985337
[3-bromo-2,2-bis(bromomethyl)propoxy]-hydroxy-oxophosphanium
CID 172748719
3-(bromomethyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pentane
CID 112587495
3-(bromomethyl)-3-(hexoxymethyl)pentane
CID 64998360
4-(bromomethyl)-4-(octoxymethyl)heptane
CID 65005941
3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
CID 129159634
2-[[3-hydroxy-2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 11038293
[3-bromo-2,2-bis(bromomethyl)propyl] 2-methylpropanoate
CID 171629069
1-bromo-2,2-bis(bromomethyl)-3-(1-phosphorosoethoxy)propane
CID 89203466
[2,2-bis(bromomethyl)-4-methylpentoxy]methylcyclopropane
CID 106931452
4,4-bis(bromomethyl)-1-(2,2,2-trifluoroethoxy)heptane
CID 79455454
4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane
CID 65006184

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane?
The IUPAC name of 1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane (CID 90472010) is 1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane.
What is the SMILES notation for 1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane?
The canonical SMILES for 1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane is BrCC(CBr)(CBr)COCC(CBr)(CBr)CBr.
What is the InChIKey of 1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane?
The InChIKey is CWXPQNWWCJJVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br6O/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h1-8H2.
What are the key properties of 1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane?
1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane has a molecular weight of 631.66 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane is sourced from PubChem (CID 90472010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).