1-bromo-9-(2-butoxyethoxy)nonane

C15H31BrO2 — CID 105343286

IUPAC1-bromo-9-(2-butoxyethoxy)nonane
SMILESCCCCOCCOCCCCCCCCCBr
InChIInChI=1S/C15H31BrO2/c1-2-3-12-17-14-15-18-13-10-8-6-4-5-7-9-11-16/h2-15H2,1H3
InChIKeyBFVVHQLBZLUKCD-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.95
Rot. Bonds15

About 1-bromo-9-(2-butoxyethoxy)nonane

1-bromo-9-(2-butoxyethoxy)nonane (PubChem CID 105343286) has the molecular formula C15H31BrO2 and a molecular weight of 323.32 g/mol. Its IUPAC name is 1-bromo-9-(2-butoxyethoxy)nonane.

Molecular Properties

Compound Name1-bromo-9-(2-butoxyethoxy)nonane
PubChem CID105343286
Molecular FormulaC15H31BrO2
Molecular Weight323.32 g/mol
Exact Mass322.15
IUPAC Name1-bromo-9-(2-butoxyethoxy)nonane
SMILESCCCCOCCOCCCCCCCCCBr
InChIInChI=1S/C15H31BrO2/c1-2-3-12-17-14-15-18-13-10-8-6-4-5-7-9-11-16/h2-15H2,1H3
InChIKeyBFVVHQLBZLUKCD-UHFFFAOYSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.95
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-8-butoxyoctane
CID 88564770
1-bromo-6-(3-butoxypropoxy)hexane
CID 19987565
1-bromo-7-heptoxyheptane
CID 59707760
1-(6-bromohexoxy)decane
CID 163381140
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1,8-bis(4-bromobutoxy)octane
CID 139648501
1,5-bis(4-bromobutoxy)pentane
CID 139648570
1-(2-bromoethoxy)nonane
CID 59341239
5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine
CID 107320355
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862

Frequently Asked Questions

What is the IUPAC name of 1-bromo-9-(2-butoxyethoxy)nonane?
The IUPAC name of 1-bromo-9-(2-butoxyethoxy)nonane (CID 105343286) is 1-bromo-9-(2-butoxyethoxy)nonane.
What is the SMILES notation for 1-bromo-9-(2-butoxyethoxy)nonane?
The canonical SMILES for 1-bromo-9-(2-butoxyethoxy)nonane is CCCCOCCOCCCCCCCCCBr.
What is the InChIKey of 1-bromo-9-(2-butoxyethoxy)nonane?
The InChIKey is BFVVHQLBZLUKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BrO2/c1-2-3-12-17-14-15-18-13-10-8-6-4-5-7-9-11-16/h2-15H2,1H3.
What are the key properties of 1-bromo-9-(2-butoxyethoxy)nonane?
1-bromo-9-(2-butoxyethoxy)nonane has a molecular weight of 323.32 g/mol, XLogP of 4.95, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9-(2-butoxyethoxy)nonane is sourced from PubChem (CID 105343286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).