1-bromo-10-(2-methoxyethoxymethoxy)decane

C14H29BrO3 — CID 53253255

IUPAC1-bromo-10-(2-methoxyethoxymethoxy)decane
SMILESCOCCOCOCCCCCCCCCCBr
InChIInChI=1S/C14H29BrO3/c1-16-12-13-18-14-17-11-9-7-5-3-2-4-6-8-10-15/h2-14H2,1H3
InChIKeyFEKREGKKRZVOTG-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.14
Rot. Bonds15

About 1-bromo-10-(2-methoxyethoxymethoxy)decane

1-bromo-10-(2-methoxyethoxymethoxy)decane (PubChem CID 53253255) has the molecular formula C14H29BrO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-bromo-10-(2-methoxyethoxymethoxy)decane.

Molecular Properties

Compound Name1-bromo-10-(2-methoxyethoxymethoxy)decane
PubChem CID53253255
Molecular FormulaC14H29BrO3
Molecular Weight325.29 g/mol
Exact Mass324.13
IUPAC Name1-bromo-10-(2-methoxyethoxymethoxy)decane
SMILESCOCCOCOCCCCCCCCCCBr
InChIInChI=1S/C14H29BrO3/c1-16-12-13-18-14-17-11-9-7-5-3-2-4-6-8-10-15/h2-14H2,1H3
InChIKeyFEKREGKKRZVOTG-UHFFFAOYSA-N
XLogP4.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 1-bromo-10-(2-methoxyethoxymethoxy)decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-(2-methoxyethoxy)propane
CID 15636133
1,8-bis(2-methoxyethoxy)octane
CID 143118909
6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 107844046
1,8-bis(4-bromobutoxy)octane
CID 139648501
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1,5-bis(4-bromobutoxy)pentane
CID 139648570
1-bromo-9-(2-butoxyethoxy)nonane
CID 105343286
1-methoxy-2-(methoxymethoxymethoxy)ethane
CID 91553787
1-bromo-8-butoxyoctane
CID 88564770
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-bromo-7-heptoxyheptane
CID 59707760
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806

Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-(2-methoxyethoxymethoxy)decane?
The IUPAC name of 1-bromo-10-(2-methoxyethoxymethoxy)decane (CID 53253255) is 1-bromo-10-(2-methoxyethoxymethoxy)decane.
What is the SMILES notation for 1-bromo-10-(2-methoxyethoxymethoxy)decane?
The canonical SMILES for 1-bromo-10-(2-methoxyethoxymethoxy)decane is COCCOCOCCCCCCCCCCBr.
What is the InChIKey of 1-bromo-10-(2-methoxyethoxymethoxy)decane?
The InChIKey is FEKREGKKRZVOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrO3/c1-16-12-13-18-14-17-11-9-7-5-3-2-4-6-8-10-15/h2-14H2,1H3.
What are the key properties of 1-bromo-10-(2-methoxyethoxymethoxy)decane?
1-bromo-10-(2-methoxyethoxymethoxy)decane has a molecular weight of 325.29 g/mol, XLogP of 4.14, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-(2-methoxyethoxymethoxy)decane is sourced from PubChem (CID 53253255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).