2-bromo-1-methoxy-2-(methoxymethyl)pentane

C8H17BrO2 — CID 19985395

IUPAC2-bromo-1-methoxy-2-(methoxymethyl)pentane
SMILESCCCC(Br)(COC)COC
InChIInChI=1S/C8H17BrO2/c1-4-5-8(9,6-10-2)7-11-3/h4-7H2,1-3H3
InChIKeyKVGOHOUSAWEZMU-UHFFFAOYSA-N
MW225.13 g/mol
LogP2.21
Rot. Bonds6

About 2-bromo-1-methoxy-2-(methoxymethyl)pentane

2-bromo-1-methoxy-2-(methoxymethyl)pentane (PubChem CID 19985395) has the molecular formula C8H17BrO2 and a molecular weight of 225.13 g/mol. Its IUPAC name is 2-bromo-1-methoxy-2-(methoxymethyl)pentane.

Molecular Properties

Compound Name2-bromo-1-methoxy-2-(methoxymethyl)pentane
PubChem CID19985395
Molecular FormulaC8H17BrO2
Molecular Weight225.13 g/mol
Exact Mass224.04
IUPAC Name2-bromo-1-methoxy-2-(methoxymethyl)pentane
SMILESCCCC(Br)(COC)COC
InChIInChI=1S/C8H17BrO2/c1-4-5-8(9,6-10-2)7-11-3/h4-7H2,1-3H3
InChIKeyKVGOHOUSAWEZMU-UHFFFAOYSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-1-methoxy-2-(methoxymethyl)-2,4,4-trimethylpentane
CID 19985344
2-Bromo-1-ethoxy-2-(ethoxymethyl)pentane
CID 19985371
3-Bromo-4,4-bis(methoxymethyl)-2,2-dimethylhexane
CID 19985389
1-Bromo-2-(3-methoxypropoxymethyl)pentane
CID 65010988
3-Bromo-1-methoxy-2,4-dimethylpentane
CID 79298776
2-Bromo-1-methoxy-2,4,4-trimethylpentane
CID 101642925
4-Bromo-3-ethyl-1-(3-methoxypropoxy)pentane
CID 103182469
4-Bromo-1-(3-methoxypropoxy)-3-methylpentane
CID 103182487
3-(1-Bromoethyl)-1-(3-methoxypropoxy)-4-methylpentane
CID 103182533
4-Bromo-1,2-dimethoxy-4-methylpentane
CID 142314261
3-(Bromomethyl)-1-methoxy-2-(methoxymethyl)pentane
CID 165445651

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methoxy-2-(methoxymethyl)pentane?
The IUPAC name of 2-bromo-1-methoxy-2-(methoxymethyl)pentane (CID 19985395) is 2-bromo-1-methoxy-2-(methoxymethyl)pentane.
What is the SMILES notation for 2-bromo-1-methoxy-2-(methoxymethyl)pentane?
The canonical SMILES for 2-bromo-1-methoxy-2-(methoxymethyl)pentane is CCCC(Br)(COC)COC.
What is the InChIKey of 2-bromo-1-methoxy-2-(methoxymethyl)pentane?
The InChIKey is KVGOHOUSAWEZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrO2/c1-4-5-8(9,6-10-2)7-11-3/h4-7H2,1-3H3.
What are the key properties of 2-bromo-1-methoxy-2-(methoxymethyl)pentane?
2-bromo-1-methoxy-2-(methoxymethyl)pentane has a molecular weight of 225.13 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methoxy-2-(methoxymethyl)pentane is sourced from PubChem (CID 19985395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).