4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane

C14H29BrO2 — CID 65006184

IUPAC4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane
SMILESCCCC(CBr)(CCC)COCCOC(C)C
InChIInChI=1S/C14H29BrO2/c1-5-7-14(11-15,8-6-2)12-16-9-10-17-13(3)4/h13H,5-12H2,1-4H3
InChIKeyWNPYXFLFWQSPQM-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.41
Rot. Bonds11

About 4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane

4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane (PubChem CID 65006184) has the molecular formula C14H29BrO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane.

Molecular Properties

Compound Name4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane
PubChem CID65006184
Molecular FormulaC14H29BrO2
Molecular Weight309.29 g/mol
Exact Mass308.14
IUPAC Name4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane
SMILESCCCC(CBr)(CCC)COCCOC(C)C
InChIInChI=1S/C14H29BrO2/c1-5-7-14(11-15,8-6-2)12-16-9-10-17-13(3)4/h13H,5-12H2,1-4H3
InChIKeyWNPYXFLFWQSPQM-UHFFFAOYSA-N
XLogP4.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.41
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'}

Analyze 4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane 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

4-(Bromomethyl)-4-[2-[2-[2-(bromomethyl)-2-(2,2-dimethylpropyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-2,2,6,6-tetramethylheptane
CID 58734101
1-Bromo-5-ethoxy-2,3,3-trimethylhexane
CID 88929409
1-Bromo-2,5-dimethoxy-3,3,5-trimethylhexane
CID 89533777
(2S)-1-bromo-2,5-dimethoxy-3,3,5-trimethylhexane
CID 89533780
(2R)-1-bromo-2,5-dimethoxy-3,3,5-trimethylhexane
CID 89533812
1-Bromo-3,3,5-trimethyl-5-propan-2-yloxyhexane
CID 129235279
1-Bromo-5-methoxy-3,3-dimethylhexane
CID 129235289
(2R,5R)-1-bromo-5-ethoxy-2-methoxy-3,3-dimethylhexane
CID 129235426
1-(Bromomethyl)-1-(1-ethoxyethyl)cyclobutane
CID 141417597
1-(Bromomethyl)-1-[2-(propan-2-yloxy)ethoxy]cyclohexane
CID 62106378
1-(Bromomethyl)-1-(2-isopropoxyethoxy)cyclopentane
CID 62106737
1-(Bromomethyl)-1-[(1-methoxypropan-2-yl)oxy]cyclopentane
CID 64042382

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane?
The IUPAC name of 4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane (CID 65006184) is 4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane.
What is the SMILES notation for 4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane?
The canonical SMILES for 4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane is CCCC(CBr)(CCC)COCCOC(C)C.
What is the InChIKey of 4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane?
The InChIKey is WNPYXFLFWQSPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrO2/c1-5-7-14(11-15,8-6-2)12-16-9-10-17-13(3)4/h13H,5-12H2,1-4H3.
What are the key properties of 4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane?
4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane has a molecular weight of 309.29 g/mol, XLogP of 4.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-(2-propan-2-yloxyethoxymethyl)heptane is sourced from PubChem (CID 65006184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).