1-(bromomethoxy)nonane

C10H21BrO — CID 156529703

IUPAC1-(bromomethoxy)nonane
SMILESCCCCCCCCCOCBr
InChIInChI=1S/C10H21BrO/c1-2-3-4-5-6-7-8-9-12-10-11/h2-10H2,1H3
InChIKeyJAGXHQUFMSFJHG-UHFFFAOYSA-N
MW237.18 g/mol
LogP4.11
Rot. Bonds9

About 1-(bromomethoxy)nonane

1-(bromomethoxy)nonane (PubChem CID 156529703) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-(bromomethoxy)nonane.

Molecular Properties

Compound Name1-(bromomethoxy)nonane
PubChem CID156529703
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name1-(bromomethoxy)nonane
SMILESCCCCCCCCCOCBr
InChIInChI=1S/C10H21BrO/c1-2-3-4-5-6-7-8-9-12-10-11/h2-10H2,1H3
InChIKeyJAGXHQUFMSFJHG-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-bromo-7-heptoxyheptane
CID 59707760
1-(6-bromohexoxy)decane
CID 163381140
1-(2-bromoethoxy)nonane
CID 59341239
1-(2-nonoxyethoxy)nonane
CID 87982931

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethoxy)nonane?
The IUPAC name of 1-(bromomethoxy)nonane (CID 156529703) is 1-(bromomethoxy)nonane.
What is the SMILES notation for 1-(bromomethoxy)nonane?
The canonical SMILES for 1-(bromomethoxy)nonane is CCCCCCCCCOCBr.
What is the InChIKey of 1-(bromomethoxy)nonane?
The InChIKey is JAGXHQUFMSFJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO/c1-2-3-4-5-6-7-8-9-12-10-11/h2-10H2,1H3.
What are the key properties of 1-(bromomethoxy)nonane?
1-(bromomethoxy)nonane has a molecular weight of 237.18 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethoxy)nonane is sourced from PubChem (CID 156529703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).