1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane

C8H16Br2O — CID 103985334

IUPAC1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane
SMILESCOCC(CBr)(CBr)C(C)C
InChIInChI=1S/C8H16Br2O/c1-7(2)8(4-9,5-10)6-11-3/h7H,4-6H2,1-3H3
InChIKeyGWLCZSKJPRKJLI-UHFFFAOYSA-N
MW288.02 g/mol
LogP3.07
Rot. Bonds5

About 1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane

1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane (PubChem CID 103985334) has the molecular formula C8H16Br2O and a molecular weight of 288.02 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane
PubChem CID103985334
Molecular FormulaC8H16Br2O
Molecular Weight288.02 g/mol
Exact Mass285.96
IUPAC Name1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane
SMILESCOCC(CBr)(CBr)C(C)C
InChIInChI=1S/C8H16Br2O/c1-7(2)8(4-9,5-10)6-11-3/h7H,4-6H2,1-3H3
InChIKeyGWLCZSKJPRKJLI-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.02
LogP ≤ 53.07
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

3,3-bis(methoxymethyl)-2-methylpentane
CID 89106557
4,4-bis(bromomethyl)-1-methoxy-5-methylhexane
CID 79455465
N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine
CID 139968885
3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane
CID 22373213
2-(methoxymethyl)-N,N-dimethyl-2-propan-2-ylpentan-1-amine
CID 139968966
3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol
CID 170393196
[(E)-4,4-bis(methoxymethyl)-5-methylhex-1-enyl]benzene
CID 19985308
3-methoxy-3-(methoxymethyl)-2,4-dimethylpentane
CID 23384967
1-bromo-2,2-dimethoxy-3-methylbutane
CID 177040835
2-(methoxymethyl)-2-propan-2-yldecan-1-amine
CID 139968822
1-[3,3-bis(bromomethyl)-4-methylpentoxy]-4-methoxybenzene
CID 79456113
2-(methoxymethyl)-N,N-dimethyl-2-propan-2-yldecan-1-amine
CID 139968931

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane?
The IUPAC name of 1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane (CID 103985334) is 1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane?
The canonical SMILES for 1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane is COCC(CBr)(CBr)C(C)C.
What is the InChIKey of 1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane?
The InChIKey is GWLCZSKJPRKJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2O/c1-7(2)8(4-9,5-10)6-11-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane?
1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane has a molecular weight of 288.02 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane is sourced from PubChem (CID 103985334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).