(2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane

C7H15BrO2 — CID 25123023

IUPAC(2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane
SMILESCOCOC[C@@H](C)CCBr
InChIInChI=1S/C7H15BrO2/c1-7(3-4-8)5-10-6-9-2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyBTJRNXIQAFQQGX-ZETCQYMHSA-N
MW211.10 g/mol
LogP2.03
Rot. Bonds6

About (2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane

(2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane (PubChem CID 25123023) has the molecular formula C7H15BrO2 and a molecular weight of 211.10 g/mol. Its IUPAC name is (2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane.

Molecular Properties

Compound Name(2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane
PubChem CID25123023
Molecular FormulaC7H15BrO2
Molecular Weight211.10 g/mol
Exact Mass210.03
IUPAC Name(2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane
SMILESCOCOC[C@@H](C)CCBr
InChIInChI=1S/C7H15BrO2/c1-7(3-4-8)5-10-6-9-2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyBTJRNXIQAFQQGX-ZETCQYMHSA-N
XLogP2.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-3-methoxymethoxypropane
CID 12709288
2-Bromo-1,1-diethoxy-3-methylbutane
CID 346229
2-Bromo-1,1-dimethoxy-3-methylbutane
CID 14269828
(2S)-4-bromo-1,1-dimethoxy-2-methylbutane
CID 71609106
(2r)-4-Bromo-1,1-dimethoxy-2-methylbutane
CID 124673622
(2R)-1-bromo-5-(methoxymethoxy)-2-methylpentane
CID 17747966
1-Bromo-4-(methoxymethoxy)butane
CID 14085127
3-Bromo-1,1-dimethoxy-2-methylpropane
CID 14383755
4-Bromo-1,1-dimethoxy-3-methylbutane
CID 19979161
1-Bromo-1-(methoxymethoxy)propane
CID 87599156
1-Bromo-4-(ethoxymethoxy)butane
CID 89400653
(2R)-5-bromo-1-(methoxymethoxy)-2-methylpentane
CID 23636466

Frequently Asked Questions

What is the IUPAC name of (2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane?
The IUPAC name of (2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane (CID 25123023) is (2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane.
What is the SMILES notation for (2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane?
The canonical SMILES for (2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane is COCOC[C@@H](C)CCBr.
What is the InChIKey of (2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane?
The InChIKey is BTJRNXIQAFQQGX-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15BrO2/c1-7(3-4-8)5-10-6-9-2/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane?
(2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane has a molecular weight of 211.10 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-bromo-1-(methoxymethoxy)-2-methylbutane is sourced from PubChem (CID 25123023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).