1-bromo-2-(3-methoxypropoxymethyl)pentane

C10H21BrO2 — CID 65010988

IUPAC1-bromo-2-(3-methoxypropoxymethyl)pentane
SMILESCCCC(CBr)COCCCOC
InChIInChI=1S/C10H21BrO2/c1-3-5-10(8-11)9-13-7-4-6-12-2/h10H,3-9H2,1-2H3
InChIKeyUMBXUEKCGGSEJS-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.85
Rot. Bonds9

About 1-bromo-2-(3-methoxypropoxymethyl)pentane

1-bromo-2-(3-methoxypropoxymethyl)pentane (PubChem CID 65010988) has the molecular formula C10H21BrO2 and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-bromo-2-(3-methoxypropoxymethyl)pentane.

Molecular Properties

Compound Name1-bromo-2-(3-methoxypropoxymethyl)pentane
PubChem CID65010988
Molecular FormulaC10H21BrO2
Molecular Weight253.18 g/mol
Exact Mass252.07
IUPAC Name1-bromo-2-(3-methoxypropoxymethyl)pentane
SMILESCCCC(CBr)COCCCOC
InChIInChI=1S/C10H21BrO2/c1-3-5-10(8-11)9-13-7-4-6-12-2/h10H,3-9H2,1-2H3
InChIKeyUMBXUEKCGGSEJS-UHFFFAOYSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.85
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'}

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Related Compounds

1-bromo-2-(2-methoxyethoxymethyl)pentane
CID 65011102
2-[2-(3-methoxypropoxy)ethoxymethyl]pentane-1-sulfonyl chloride
CID 103176077
2-[3-(2-methoxyethoxy)propoxymethyl]pentane-1-sulfonyl chloride
CID 103407334
3-(bromomethyl)-1-(2-methylpropoxy)hexane
CID 106459617
1-bromo-2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]butane
CID 104561219
3-(bromomethyl)-1-(3-methoxypropoxy)-5-methylhexane
CID 103185020
4-(butoxymethyl)nonane
CID 87066766
ethane;4-(methoxymethyl)heptane;propane
CID 168880885
2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine
CID 103183286
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
CID 64999800
1-(2,2-diethoxyethoxy)-3-methoxypropane
CID 63629609

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-methoxypropoxymethyl)pentane?
The IUPAC name of 1-bromo-2-(3-methoxypropoxymethyl)pentane (CID 65010988) is 1-bromo-2-(3-methoxypropoxymethyl)pentane.
What is the SMILES notation for 1-bromo-2-(3-methoxypropoxymethyl)pentane?
The canonical SMILES for 1-bromo-2-(3-methoxypropoxymethyl)pentane is CCCC(CBr)COCCCOC.
What is the InChIKey of 1-bromo-2-(3-methoxypropoxymethyl)pentane?
The InChIKey is UMBXUEKCGGSEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO2/c1-3-5-10(8-11)9-13-7-4-6-12-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-bromo-2-(3-methoxypropoxymethyl)pentane?
1-bromo-2-(3-methoxypropoxymethyl)pentane has a molecular weight of 253.18 g/mol, XLogP of 2.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-methoxypropoxymethyl)pentane is sourced from PubChem (CID 65010988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).